1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 3910-0444 |
| Compound Name: | 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C21 H27 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COc2c(C)cccc2C)O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6684 |
| logD: | 4.6684 |
| logSw: | -4.4208 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.9654 |
| InChI Key: | SNKAXSROYUIKNW-KRWDZBQOSA-N |