1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 3910-0443 |
| Compound Name: | 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2,3-dimethyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C20 H25 N2 O2 |
| Salt: | I- |
| Smiles: | Cc1cccc(C)c1OCC(Cn1c2ccccc2[n+](C)c1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0382 |
| logD: | 4.0382 |
| logSw: | -4.2338 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9447 |
| InChI Key: | HAAJUYNXWQEJBZ-KRWDZBQOSA-N |