2-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
2-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0558 |
| Compound Name: | 2-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 468.33 |
| Molecular Formula: | C20 H25 N2 O3 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COc2cccc(c2)OC)O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8132 |
| logD: | 3.8132 |
| logSw: | -3.9497 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.336 |
| InChI Key: | KQSQUPCNVQEVLN-HNNXBMFYSA-N |