N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0018 |
| Compound Name: | N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | CN1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7992 |
| logD: | 0.8282 |
| logSw: | -2.86 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.606 |
| InChI Key: | CLSGCGWUAQUVME-UHFFFAOYSA-N |