1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium
1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 5491-0323 |
| Compound Name: | 1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C21 H27 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1cc(C)cc(c1)OCC(Cn1c2ccccc2[n+](C)c1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6666 |
| logD: | 4.6666 |
| logSw: | -4.369 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.7714 |
| InChI Key: | PXVBEKPTBLXRMM-SFHVURJKSA-N |