N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-methylbutanamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-methylbutanamide
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-methylbutanamide
Compound characteristics
| Compound ID: | D332-0044 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-3-methylbutanamide |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C20 H30 N4 O |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5982 |
| logD: | 3.3285 |
| logSw: | -3.7194 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.438 |
| InChI Key: | LWPQTPSOUZQDEC-UHFFFAOYSA-N |