2-(1H-benzimidazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-7747 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(pentafluorophenyl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 371.69 |
| Molecular Formula: | C16 H6 F5 N3 |
| Salt: | HCl |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1c(c(c(c(c1F)F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3815 |
| logD: | 4.3807 |
| logSw: | -4.6865 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.314 |
| InChI Key: | IHCGARDFENOYLI-FNORWQNLSA-N |