3-(2-amino-1H-benzimidazol-1-yl)-2-(3-methylbenzoyl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-amino-1H-benzimidazol-1-yl)-2-(3-methylbenzoyl)prop-2-enenitrile
3-(2-amino-1H-benzimidazol-1-yl)-2-(3-methylbenzoyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8013-0581 |
| Compound Name: | 3-(2-amino-1H-benzimidazol-1-yl)-2-(3-methylbenzoyl)prop-2-enenitrile |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C18 H14 N4 O |
| Smiles: | Cc1cccc(c1)C(C(=C/n1c2ccccc2nc1N)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.991 |
| logD: | 2.991 |
| logSw: | -3.1026 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.334 |
| InChI Key: | YPXNNDHMSDMBBY-UHFFFAOYSA-N |