3-(2H-1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(2H-1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8018-1218 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C19 H15 N3 O2 |
| Smiles: | Cc1cc2c(cc1C)[nH]c(/C(=C/c1ccc3c(c1)OCO3)C#N)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.7486 |
| logD: | 4.7476 |
| logSw: | -4.6332 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.43 |
| InChI Key: | IOMFYRDTSVIUAD-UHFFFAOYSA-N |