1-[3-(3-chlorophenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(3-chlorophenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(3-chlorophenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5491-0397 |
| Compound Name: | 1-[3-(3-chlorophenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 472.75 |
| Molecular Formula: | C19 H22 Cl N2 O2 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COc2cccc(c2)[Cl])O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5616 |
| logD: | 4.5616 |
| logSw: | -4.3085 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7921 |
| InChI Key: | DQRRWYYIMWPXJC-HNNXBMFYSA-N |