TL;DR: Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)- (CAS 116796-03-3) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-4-(1H-imidazol-5-ylmethyl)phenol
Also Known As: 2-Hydroxy-5-(1H-imidazol-4-ylmethyl)benzenemethanol, Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)-, 3-((1H-Imidazol-4-yl)methyl)-6-hydroxybenzenemethanol, 2-(hydroxymethyl)-4-(1H-imidazol-5-ylmethyl)phenol, 2-(Hydroxymethyl)-4-[(1H-imidazol-5-yl)methyl]phenol
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| SMILES | C1=CC(=C(C=C1CC2=CN=CN2)CO)O |
| InChIKey | KTSRARHGUNNUMM-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)-. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)-. Following Lipinski's Rule of Five, Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)- is 116796-03-3.
The molecular formula of Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)- is C11H12N2O2.
The molecular weight of Benzenemethanol, 2-hydroxy-5-(1H-imidazol-4-ylmethyl)- is 204.08987 g/mol.
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