4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4874 |
| Compound Name: | 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C20 H16 N6 O2 |
| Smiles: | C1CN(CCC1c1nc2ccccc2[nH]1)c1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2643 |
| logD: | 3.2572 |
| logSw: | -3.6999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.603 |
| InChI Key: | BVNRKNTUUCHRLK-UHFFFAOYSA-N |