1-[3-(benzyloxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(benzyloxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(benzyloxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0457 |
| Compound Name: | 1-[3-(benzyloxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 438.31 |
| Molecular Formula: | C19 H23 N2 O2 |
| Salt: | I- |
| Smiles: | CC[n+]1cn(CC(COCc2ccccc2)O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9332 |
| logD: | 2.9332 |
| logSw: | -2.9541 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.1834 |
| InChI Key: | CBPBNIURLTYSKL-KRWDZBQOSA-N |