N-{1-ethyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-ethyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-ethyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1751 |
| Compound Name: | N-{1-ethyl-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCCC1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5094 |
| logD: | 3.111 |
| logSw: | -3.6854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.711 |
| InChI Key: | FWJMVJKAPIIPJJ-UHFFFAOYSA-N |