N-{1-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1213 |
| Compound Name: | N-{1-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | CC1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6406 |
| logD: | 3.452 |
| logSw: | -3.8753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.43 |
| InChI Key: | HCNNEZQEQPFMAC-UHFFFAOYSA-N |