2-ethyl-1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-ethyl-1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
2-ethyl-1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5103-0673 |
| Compound Name: | 2-ethyl-1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 496.34 |
| Molecular Formula: | C21 H25 N2 O4 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COc2ccc(cc2)C(=O)OC)O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8563 |
| logD: | 3.8563 |
| logSw: | -3.946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.966 |
| InChI Key: | IXQLSRYMEQZFRL-INIZCTEOSA-N |