methyl (3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
methyl (3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate
Compound characteristics
| Compound ID: | 2226-0414 |
| Compound Name: | methyl (3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetate |
| Molecular Weight: | 376.25 |
| Molecular Formula: | C17 H17 N3 O2 |
| Salt: | HBr |
| Smiles: | COC(CN1C(=N)N(Cc2ccccc2)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7573 |
| logD: | 2.1338 |
| logSw: | -3.0901 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.433 |
| InChI Key: | WHGKRMCTCGFZLX-UHFFFAOYSA-N |