1,3-diethyl-2-methyl-5-(methylsulfamoyl)-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1,3-diethyl-2-methyl-5-(methylsulfamoyl)-1H-benzimidazol-3-ium--iodide (1/1)
1,3-diethyl-2-methyl-5-(methylsulfamoyl)-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0339-0025 |
| Compound Name: | 1,3-diethyl-2-methyl-5-(methylsulfamoyl)-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 409.29 |
| Molecular Formula: | C13 H20 N3 O2 S |
| Salt: | I- |
| Smiles: | CCn1c2ccc(cc2[n+](CC)c1C)S(NC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.95 |
| logD: | 1.95 |
| logSw: | -2.6884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.714 |
| InChI Key: | HTRSQZKPDHFSJY-UHFFFAOYSA-N |