4-{[(1H-benzimidazol-2-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-{[(1H-benzimidazol-2-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
4-{[(1H-benzimidazol-2-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-3872 |
| Compound Name: | 4-{[(1H-benzimidazol-2-yl)methyl]amino}-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C16 H10 N6 O2 |
| Smiles: | C(c1nc2ccccc2[nH]1)Nc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.877 |
| logD: | 2.8768 |
| logSw: | -3.5955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.25 |
| InChI Key: | VKYSNFCRAOKPNL-UHFFFAOYSA-N |