2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-0114 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 326.74 |
| Molecular Formula: | C16 H10 N4 O2 |
| Salt: | HCl |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3287 |
| logD: | 3.327 |
| logSw: | -3.7938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.395 |
| InChI Key: | YGLWLRRYYPGJDG-FMIVXFBMSA-N |