2-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-0098 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 416.69 |
| Molecular Formula: | C20 H11 Cl2 N3 O |
| Salt: | HCl |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1ccc(c2ccc(cc2[Cl])[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.9233 |
| logD: | 5.9227 |
| logSw: | -6.3537 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.884 |
| InChI Key: | IRYOEHQLCPHPCU-FMIVXFBMSA-N |