1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0574 |
| Compound Name: | 1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 496.34 |
| Molecular Formula: | C21 H25 N2 O4 |
| Salt: | I- |
| Smiles: | Cc1cc2c(cc1C)[n+](C)cn2CC(COc1ccc(cc1)C(=O)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.004 |
| logD: | 4.004 |
| logSw: | -4.3005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.253 |
| InChI Key: | QARHOYVWTKFBOA-KRWDZBQOSA-N |