TL;DR: 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine (CAS 108281-62-5) is a chemical compound with molecular formula C14H12FN3 and molecular weight 241.10153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-amine
Also Known As: ASN 12893290, 2-[(4-FLUOROPHENYL)METHYL]-1H-1,3-BENZODIAZOL-5-AMINE, 2-(4-Fluoro-benzyl)-1H-benzoimidazol-5-ylamine, 2-(4-Fluorobenzyl)-1h-benzo[d]imidazol-5-amine, 2-(4-fluorophenyl)methyl-1H-1,3-benzodiazol-5-amine
| Molecular Formula | C14H12FN3 |
| Molecular Weight | 241.10153 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.10153 Da |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
| SMILES | C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)N)F |
| InChIKey | WCVOJAQWNPNHMH-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine. With a topological polar surface area (TPSA) of 54.7 Ų, 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine has 2 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 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine is 108281-62-5.
The molecular formula of 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine is C14H12FN3.
The molecular weight of 2-[(4-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine is 241.10153 g/mol.
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