N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide
N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1864 |
| Compound Name: | N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-4-nitrobenzamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCCC1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3648 |
| logD: | 3.4189 |
| logSw: | -4.0054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.965 |
| InChI Key: | VHLZQBFPBWBBOA-UHFFFAOYSA-N |