3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8010-1364 |
| Compound Name: | 3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | CC(C)Oc1ccc(/C=C(C#N)/c2nc3cc(C)ccc3[nH]2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4277 |
| logD: | 4.4273 |
| logSw: | -4.4579 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.834 |
| InChI Key: | GNJHFYUHUFEDSD-UHFFFAOYSA-N |