3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-benzimidazol-3-ium--iodide (1/1)
3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0422 |
| Compound Name: | 3-ethyl-1-(2-hydroxy-3-phenoxypropyl)-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 424.28 |
| Molecular Formula: | C18 H21 N2 O2 |
| Salt: | I- |
| Smiles: | CC[n+]1cn(CC(COc2ccccc2)O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.134 |
| logD: | 3.134 |
| logSw: | -2.9251 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2482 |
| InChI Key: | QLTDVRMIECDNKY-HNNXBMFYSA-N |