2-Ethylbenzimidazole
PubChem CID: 15807
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| Compound Synonyms | 2-Ethylbenzimidazole, 1848-84-6, 2-Ethyl-1H-benzimidazole, 2-ethyl-1H-benzo[d]imidazole, 1H-Benzimidazole, 2-ethyl-, BENZIMIDAZOLE, 2-ETHYL-, 2-Ethyl-1H-benzoimidazole, EINECS 217-433-8, MFCD00022684, NSC 28961, NSC 38878, BRN 0116484, AI3-51842, CHEMBL351569, DTXSID60171664, 5-23-06-00436 (Beilstein Handbook Reference), WLN: T56 BM DNJ C2, 2-ethyl-1H-1,3-benzodiazole, 2-ethyl benzimidazole, 2-Ethyl-Benzimidazole, Enamine_005373, 2-Ethyl-1H-benzimidazole #, MLS000532151, SCHEMBL157456, 2-ethyl-1H-1,3-benzimidazole, DTXCID5094155, HMS1409E05, HMS2484F04, ALBB-003847, BCP27456, NSC28961, NSC38878, BDBM50404858, NSC-28961, NSC-38878, STK501711, AKOS000275562, NCGC00245718-01, AS-12145, SMR000137092, SY015992, DB-006109, CS-0030568, E1358, NS00026063, EN300-16422, 2-Ethyl-1H-benzimidazole, 1H-Benzimidazole, 2-ethyl-, Z55692907, F0853-0447, InChI=1/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11, 217-433-8, T91 |
|---|---|
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00176, P00185, Q16236, Q9UNA4, O94760, n.a. |
| Iupac Name | 2-ethyl-1H-benzimidazole |
| Prediction Hob | 1.0 |
| Target Id | NPT3078 |
| Xlogp | 2.1 |
| Molecular Formula | C9H10N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHCCOYAKYCWDOJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.28 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.374 |
| Compound Name | 2-Ethylbenzimidazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 146.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.804151145454546 |
| Inchi | InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11) |
| Smiles | CCC1=NC2=CC=CC=C2N1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all