methyl 4-amino-1H-benzimidazole-6-carboxylate--hydrogen chloride (1/2)
Chemical Structure Depiction of
methyl 4-amino-1H-benzimidazole-6-carboxylate--hydrogen chloride (1/2)
methyl 4-amino-1H-benzimidazole-6-carboxylate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8017-6162 |
| Compound Name: | methyl 4-amino-1H-benzimidazole-6-carboxylate--hydrogen chloride (1/2) |
| Molecular Weight: | 264.11 |
| Molecular Formula: | C9 H9 N3 O2 |
| Salt: | 2HCl |
| Smiles: | COC(c1cc(c2c(c1)[nH]cn2)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9369 |
| logD: | 0.9368 |
| logSw: | -1.9116 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.809 |
| InChI Key: | LABKJLODZOOQIF-UHFFFAOYSA-N |