5-(ethoxycarbonyl)-1,3-bis(2-hydroxyethyl)-2-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
5-(ethoxycarbonyl)-1,3-bis(2-hydroxyethyl)-2-methyl-1H-benzimidazol-3-ium--iodide (1/1)
5-(ethoxycarbonyl)-1,3-bis(2-hydroxyethyl)-2-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0339-0006 |
| Compound Name: | 5-(ethoxycarbonyl)-1,3-bis(2-hydroxyethyl)-2-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 420.25 |
| Molecular Formula: | C15 H21 N2 O4 |
| Salt: | I- |
| Smiles: | CCOC(c1ccc2c(c1)[n+](CCO)c(C)n2CCO)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5293 |
| logD: | 1.5293 |
| logSw: | -1.8436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.136 |
| InChI Key: | XKUNENGEWIWULA-UHFFFAOYSA-N |