3-ethyl-1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-3-ium--iodide (1/1)
3-ethyl-1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0447 |
| Compound Name: | 3-ethyl-1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C21 H27 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1cc(C)cc(c1)OCC(Cn1c[n+](CC)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6938 |
| logD: | 4.6938 |
| logSw: | -4.333 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2482 |
| InChI Key: | JINUQZCGPGCGTO-SFHVURJKSA-N |