2-(1H-benzimidazol-2-yl)-3-[3-(cyanomethoxy)-4-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[3-(cyanomethoxy)-4-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-[3-(cyanomethoxy)-4-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-8678 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[3-(cyanomethoxy)-4-methoxyphenyl]prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 366.81 |
| Molecular Formula: | C19 H14 N4 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1OCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.5121 |
| logD: | 2.5112 |
| logSw: | -2.7454 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.941 |
| InChI Key: | XMLHCAAARCJRCM-GXDHUFHOSA-N |