3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2237-1805 |
| Compound Name: | 3-(2-chloro-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 338.75 |
| Molecular Formula: | C17 H11 Cl N4 O2 |
| Smiles: | Cc1ccc2c(c1)[nH]c(/C(=C/c1cc(ccc1[Cl])[N+]([O-])=O)C#N)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.6812 |
| logD: | 4.6793 |
| logSw: | -4.9212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.696 |
| InChI Key: | DYHKGROGHPFQAY-UHFFFAOYSA-N |