2-(4-chlorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-benzimidazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
2-(4-chlorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-benzimidazol-3-ium--chloride (1/1)
2-(4-chlorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-benzimidazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 1499-0695 |
| Compound Name: | 2-(4-chlorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-benzimidazol-3-ium--chloride (1/1) |
| Molecular Weight: | 475.46 |
| Molecular Formula: | C26 H32 Cl N2 O2 |
| Salt: | Cl- |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(Cn1c2ccccc2[n+](C)c1c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6271 |
| logD: | 7.6271 |
| logSw: | -6.4298 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.1435 |
| InChI Key: | LHBLJDHSSGIEFY-UHFFFAOYSA-N |