1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-diethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-diethyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-diethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0444 |
| Compound Name: | 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-diethyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 480.39 |
| Molecular Formula: | C22 H29 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COc2c(C)cccc2C)O)c2ccccc2[n+]1CC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.308 |
| logD: | 5.308 |
| logSw: | -5.3149 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.8801 |
| InChI Key: | ZNSXWPHELDQNOT-SFHVURJKSA-N |