4-Methylimidazole
PubChem CID: 13195
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Methylimidazole, 822-36-6, 4-Methyl-1H-imidazole, 5-Methyl-1H-imidazole, 4(5)-Methylimidazole, 1H-Imidazole, 4-methyl-, 4-Me-i, 5-Methylimidazole, 4(or 5)-Methylimidazole, IMIDAZOLE, 4-METHYL-, 4-MEI, 1H-Imidazole, 5-methyl-, CHEBI:40035, EINECS 212-497-3, Q64GF9FV4I, NSC 40744, CCRIS 8912, DTXSID9025617, AI3-08274, HSDB 7757, S-3-furyl ethanethioate, MFCD00005201, NSC-40744, DTXCID805617, CHEMBL1230309, 4-METHYLIMIDAZOLE [HSDB], 4-METHYLIMIDAZOLE [IARC], EC 212-497-3, ethanethioic acid, S-3-furanyl ester, 4-METHYLIMIDAZOLE (IARC), 4-methyl imidazole, 4MI, 4MZ, 928113-28-4, UNII-Q64GF9FV4I, 4-methylimidazol, 4Methyl1Himidazole, 4-methyl-imidazole, 5-methyl imidazole, Imidazole, 4methyl, 1HImidazole, 4methyl, 1HImidazole, 5methyl, 4(or 5)Methylimidazole, 4-methyl-1-H-imidazole, 5-Methyl-1H-imidazole #, imidazole, 4(5)-methyl-, 4-methyl-1(3)H-imidazole, WLN: T5M CNJ D1, MLS001065586, 4(5)-Methylimidazole, 98%, Imidazole, 4 (or 5)-methyl-, HMS3039G17, CS-D1459, NSC40744, Tox21_201048, 4-ME-1, BDBM50538684, MFCD02114698, STL185694, AKOS005206795, AKOS006242099, AC-4534, CCG-214463, DB03385, FM38077, NCGC00091437-01, NCGC00091437-02, NCGC00258601-01, AS-12430, CAS-822-36-6, PD002162, SMR000568466, 4(5)-Methylimidazole, analytical standard, M0636, NS00010164, EN300-78401, C19262, AL-398/25017073, Q230021, Z1945707502, 212-497-3 |
|---|---|
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.8 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, P10275, O75496, Q13451 |
| Iupac Name | 5-methyl-1H-imidazole |
| Prediction Hob | 1.0 |
| Target Id | NPT94 |
| Xlogp | 0.2 |
| Molecular Formula | C4H6N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLSZMDLNRCVEIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | 0.91 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.135 |
| Compound Name | 4-Methylimidazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 82.0531 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 82.0531 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 82.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1106238666666668 |
| Inchi | InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6) |
| Smiles | CC1=CN=CN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asimina Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atraphaxis Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Baccharis Neglecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Centaurea Maculosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Chondrodendron Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Clerodendrum Bungei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cordia Leucocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Diospyros Assimilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Embelia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Embelia Schimperi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Epilobium Hirsutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Eria Anomala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Erysimum Leptophyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Erythrina Melanacantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Esenbeckia Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Euphorbia Nematocypha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Faramea Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Gymnocalycium Schickendantzii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Haplophyllum Obtusifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Helichrysum Tenuifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Hypericum Styphelioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Lemaireocereus Longispinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Lythrum Salicaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Monsonia Senegalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Morella Rubra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Onopordum Acanthium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Pancratium Sickenbergeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Piper Regnellii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Plathymenia Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Pteridium Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Simarouba Glauca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Syzygium Polycephaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Vellozia Nanuzae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Vernonia Fagifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all