3-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2144-0964 |
| Compound Name: | 3-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 396.28 |
| Molecular Formula: | C20 H18 Br N3 O |
| Smiles: | CC(C)Oc1ccc(cc1/C=C(C#N)/c1nc2cc(C)ccc2[nH]1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4724 |
| logD: | 5.472 |
| logSw: | -5.5082 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.203 |
| InChI Key: | RHXPBSKCDJSIHH-UHFFFAOYSA-N |