2-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-9324 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C18 H15 N3 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2509 |
| logD: | 3.25 |
| logSw: | -3.3666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.575 |
| InChI Key: | SIPOTHFKLAFEAC-UKTHLTGXSA-N |