2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8010-1612 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 354.2 |
| Molecular Formula: | C17 H12 Br N3 O |
| Smiles: | COc1ccc(cc1/C=C(C#N)/c1nc2ccccc2[nH]1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4468 |
| logD: | 4.4459 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.945 |
| InChI Key: | ODRSTQCAEXNFAK-UHFFFAOYSA-N |