2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-[5-methyl-2-(propan-2-yl)phenoxy]-3-oxobutanenitrile
Chemical Structure Depiction of
2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-[5-methyl-2-(propan-2-yl)phenoxy]-3-oxobutanenitrile
2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-[5-methyl-2-(propan-2-yl)phenoxy]-3-oxobutanenitrile
Compound characteristics
| Compound ID: | 3126-1434 |
| Compound Name: | 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-[5-methyl-2-(propan-2-yl)phenoxy]-3-oxobutanenitrile |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | CC(C)c1ccc(C)cc1OCC(C(C#N)=C1Nc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7014 |
| logD: | 4.7001 |
| logSw: | -4.3563 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.174 |
| InChI Key: | BTXVHSRPMZJIOM-UHFFFAOYSA-N |