2-(5-benzoyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-(5-benzoyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
2-(5-benzoyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
Compound ID: | 4533-0182 |
Compound Name: | 2-(5-benzoyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione |
Molecular Weight: | 360.41 |
Molecular Formula: | C22 H20 N2 O3 |
Smiles: | CC1(C)CC(C(=C2Nc3ccc(cc3N2)C(c2ccccc2)=O)C(C1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7435 |
logD: | 3.6174 |
logSw: | -4.1024 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.44 |
InChI Key: | UIJGSEGIWXGSLR-UHFFFAOYSA-N |