N-{1-butyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-butyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{1-butyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1479 |
| Compound Name: | N-{1-butyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCCCC1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.508 |
| logD: | 3.9212 |
| logSw: | -4.1137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.298 |
| InChI Key: | OVWUFKXQMAOSSD-UHFFFAOYSA-N |