2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 5609-0637 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]prop-2-enenitrile |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C21 H19 N3 O2 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.8356 |
| logD: | 4.8347 |
| logSw: | -4.4131 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.004 |
| InChI Key: | YLMSMZPPBSMDLV-UHFFFAOYSA-N |