4-nitro-N-{1-(propan-2-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}benzamide
Chemical Structure Depiction of
4-nitro-N-{1-(propan-2-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}benzamide
4-nitro-N-{1-(propan-2-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}benzamide
Compound characteristics
| Compound ID: | D305-1826 |
| Compound Name: | 4-nitro-N-{1-(propan-2-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-benzimidazol-5-yl}benzamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | CC(C)n1c2ccc(cc2nc1CN1CCCC1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7405 |
| logD: | 3.414 |
| logSw: | -3.987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.062 |
| InChI Key: | SCGGBAGAPVVLLA-UHFFFAOYSA-N |