1-{2-hydroxy-3-[4-(propan-2-yl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-{2-hydroxy-3-[4-(propan-2-yl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-{2-hydroxy-3-[4-(propan-2-yl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5491-0345 |
| Compound Name: | 1-{2-hydroxy-3-[4-(propan-2-yl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C20 H25 N2 O2 |
| Salt: | I- |
| Smiles: | CC(C)c1ccc(cc1)OCC(Cn1c[n+](C)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1871 |
| logD: | 4.1871 |
| logSw: | -4.1537 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0793 |
| InChI Key: | SJLWHYNBMRXPMQ-KRWDZBQOSA-N |