2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile
Chemical Structure Depiction of
2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile
2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile
Compound characteristics
| Compound ID: | 3126-1416 |
| Compound Name: | 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile |
| Molecular Weight: | 213.24 |
| Molecular Formula: | C12 H11 N3 O |
| Smiles: | CCC(C(C#N)=C1Nc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8619 |
| logD: | 1.8612 |
| logSw: | -2.3147 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.859 |
| InChI Key: | BIABKDMZEKETOF-UHFFFAOYSA-N |