methyl 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoate
methyl 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoate
Compound characteristics
| Compound ID: | Y500-0184 |
| Compound Name: | methyl 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoate |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C18 H13 N3 O2 |
| Smiles: | COC(c1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7431 |
| logD: | 3.7422 |
| logSw: | -4.3302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.488 |
| InChI Key: | UOAOVQWGUYMVLC-UHFFFAOYSA-N |