TL;DR: Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride (CAS 127170-82-5) is a chemical compound with molecular formula C11H12ClN3O3 and molecular weight 269.05673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide;hydrochloride
Also Known As: Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride, 2,6-Dihydroxy-3-((1H-imidazol-4-yl)methyl)benzamide hydrochloride, 2,6-Dihydroxy-3-(1H-imidazol-4-ylmethyl)benzamide monohydrochloride, 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide,hydrochloride, 2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide hydrochloride
| Molecular Formula | C11H12ClN3O3 |
| Molecular Weight | 269.05673 g/mol |
| XLogP | 0.9324 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05673 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | C1=CC(=C(C(=C1CC2=CN=CN2)O)C(=O)N)O.Cl |
| InChIKey | GADDMWCGXITNKV-UHFFFAOYSA-N |
The XLogP value of 0.9324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride has 5 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride is 127170-82-5.
The molecular formula of Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride is C11H12ClN3O3.
The molecular weight of Benzamide, 2,6-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride is 269.05673 g/mol.
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