1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 3910-0435 |
| Compound Name: | 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C20 H25 N2 O2 |
| Salt: | I- |
| Smiles: | Cc1cccc(c1)OCC(Cn1c[n+](C)c2cc(C)c(C)cc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4046 |
| logD: | 4.4046 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0793 |
| InChI Key: | RSLLALOQYURUGS-KRWDZBQOSA-N |