TL;DR: 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole (CAS 124443-67-0) is a chemical compound with molecular formula C14H11FN2 and molecular weight 226.09062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-fluorophenyl)methyl]benzimidazole
Also Known As: 1-[(4-fluorophenyl)methyl]-1h-1,3-benzodiazole, 1-[(4-fluorophenyl)methyl]benzimidazole, 1-(4-fluorobenzyl)-1H-benzimidazole, IFLab1_005174, 1-(4-fluorobenzyl)-1H-benzo[d]imidazole
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H11FN2 |
| Molecular Weight | 226.09062 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.09062 Da |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)F |
| InChIKey | QLQZBMMYHJKDSH-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is 124443-67-0.
The molecular formula of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is C14H11FN2.
The molecular weight of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is 226.09062 g/mol.
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