1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5491-0316 |
| Compound Name: | 1-[3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C20 H25 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1cc(C)cc(c1)OCC(Cn1c[n+](C)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3801 |
| logD: | 4.3801 |
| logSw: | -4.2869 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0793 |
| InChI Key: | DGCSLHPUZUANTA-KRWDZBQOSA-N |