2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile--hydrogen chloride (1/1)
2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3615-0097 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C23 H21 N5 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)n1c(C)c(/C=C(C#N)/c2nc3ccccc3[nH]2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9231 |
| logD: | 4.9214 |
| logSw: | -4.685 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.732 |
| InChI Key: | SKJWZJNBVCKCBH-LDADJPATSA-N |