N-{2-[(2-methyl-1H-imidazol-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(2-methyl-1H-imidazol-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{2-[(2-methyl-1H-imidazol-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-2169 |
| Compound Name: | N-{2-[(2-methyl-1H-imidazol-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C22 H22 N6 O3 |
| Smiles: | CCCn1c2ccc(cc2nc1Cn1ccnc1C)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3902 |
| logD: | 0.304 |
| logSw: | -3.6352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.153 |
| InChI Key: | QSOHRHQNKVXIBA-UHFFFAOYSA-N |