Naamidine I
PubChem CID: 23656634
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| Compound Synonyms | naamidine I, 5-[[5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one, 5-((5-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-methoxyphenyl)methyl)-1-methylimidazol-2-yl)amino)-3-methyl-2-methyliminoimidazol-4-one, CHEMBL251674 |
|---|---|
| Topological Polar Surface Area | 123.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 833.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[[5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C26H30N6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGFIBRGPMCIEQV-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -4.604 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.824 |
| Compound Name | Naamidine I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.228 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.228 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 506.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.808690600000002 |
| Inchi | InChI=1S/C26H30N6O5/c1-27-25-29-23(24(34)32(25)3)30-26-28-18(11-15-7-9-17(35-4)10-8-15)19(31(26)2)12-16-13-20(36-5)22(33)21(14-16)37-6/h7-10,13-14,33H,11-12H2,1-6H3,(H,27,28,29,30) |
| Smiles | CN=C1N=C(C(=O)N1C)NC2=NC(=C(N2C)CC3=CC(=C(C(=C3)OC)O)OC)CC4=CC=C(C=C4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all