4-[4-(1H-benzimidazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1H-benzimidazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1H-benzimidazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0196 |
| Compound Name: | 4-[4-(1H-benzimidazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 443.43 |
| Molecular Formula: | C22 H20 F3 N5 O2 |
| Smiles: | COCC1CN(CCN1C(c1ccc2c(c1)nc[nH]2)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4591 |
| logD: | 2.4512 |
| logSw: | -3.095 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.737 |
| InChI Key: | RPCRYGLFYJRLBF-QGZVFWFLSA-N |