1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5103-0671 |
| Compound Name: | 1-{2-hydroxy-3-[4-(methoxycarbonyl)phenoxy]propyl}-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 468.29 |
| Molecular Formula: | C19 H21 N2 O4 |
| Salt: | I- |
| Smiles: | C[n+]1cn(CC(COc2ccc(cc2)C(=O)OC)O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9396 |
| logD: | 2.9396 |
| logSw: | -3.1092 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.253 |
| InChI Key: | WVDFRQOWWLHRER-HNNXBMFYSA-N |