TL;DR: 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid (CAS 1346598-15-9) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-butyl-5-formylimidazol-1-yl)methyl]benzoic acid
Also Known As: Eprosartan Impurity 4, 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid, 2-butyl-1-(4-carboxybenzyl)-5-formylimidazole, 4-[(2-BUTYL-5-FORMYLIMIDAZOL-1-YL)METHYL]BENZOIC ACID, 4-[(2-n-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid
| Molecular Formula | C16H18N2O3 |
| Molecular Weight | 286.13174 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.13174 Da |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
| SMILES | CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=O |
| InChIKey | QLMGJDCOKQGJKF-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid has 1 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 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid is 1346598-15-9.
The molecular formula of 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid is C16H18N2O3.
The molecular weight of 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid is 286.13174 g/mol.
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