TL;DR: Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride (CAS 127170-83-6) is a chemical compound with molecular formula C12H14ClN3O3 and molecular weight 283.07236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide;hydrochloride
Also Known As: 2,6-Dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzamide hydrochloride, 2,6-Dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzamide monohydrochloride, Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride, 2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide,hydrochloride, 2,6-dihydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide hydrochloride
| Molecular Formula | C12H14ClN3O3 |
| Molecular Weight | 283.07236 g/mol |
| XLogP | 1.4934 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07236 Da |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
| SMILES | CC(C1=C(C(=C(C=C1)O)C(=O)N)O)C2=CN=CN2.Cl |
| InChIKey | YQBIICKULIAGEE-UHFFFAOYSA-N |
The XLogP value of 1.4934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, 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-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride is 127170-83-6.
The molecular formula of Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride is C12H14ClN3O3.
The molecular weight of Benzamide, 2,6-dihydroxy-3-(1-(1H-imidazol-4-yl)ethyl)-, monohydrochloride is 283.07236 g/mol.
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