TL;DR: Benzamide, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1) (CAS 127170-88-1) 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.
N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide;hydrochloride
Also Known As: N,2-Dihydroxy-3-((1H-imidazol-4-yl)methyl)benzamide hydrochloride, N,2-Dihydroxy-3-(1H-imidazol-4-ylmethyl)benzamide monohydrochloride, Benzamide, N,2-dihydroxy-3-(1H-imidazol-4-ylmethyl)-, monohydrochloride, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide hydrochloride, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzamide,hydrochloride
| Molecular Formula | C11H12ClN3O3 |
| Molecular Weight | 269.05673 g/mol |
| XLogP | 1.2469 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05673 Da |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
| SMILES | C1=CC(=C(C(=C1)C(=O)NO)O)CC2=CN=CN2.Cl |
| InChIKey | KIPQQPWOEFSQPZ-UHFFFAOYSA-N |
The XLogP value of 1.2469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1). The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzamide, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1) 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, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1) is 127170-88-1.
The molecular formula of Benzamide, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1) is C11H12ClN3O3.
The molecular weight of Benzamide, N,2-dihydroxy-3-(1H-imidazol-5-ylmethyl)-, hydrochloride (1:1) is 269.05673 g/mol.
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