1,2-diamino-3-(2-oxopropyl)-1H-benzimidazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
1,2-diamino-3-(2-oxopropyl)-1H-benzimidazol-3-ium--chloride (1/1)
1,2-diamino-3-(2-oxopropyl)-1H-benzimidazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8016-1149 |
| Compound Name: | 1,2-diamino-3-(2-oxopropyl)-1H-benzimidazol-3-ium--chloride (1/1) |
| Molecular Weight: | 240.69 |
| Molecular Formula: | C10 H13 N4 O |
| Salt: | Cl- |
| Smiles: | CC(C[n+]1c2ccccc2n(c1N)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2082 |
| logD: | 0.2082 |
| logSw: | -1.3701 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 54.464 |
| InChI Key: | JUMIUCRTYSVBCP-UHFFFAOYSA-O |