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1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole structure
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1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole

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

CAS Number
124443-67-0
Molecular Formula
C14H11FN2
Molecular Weight
226.09062 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (38 patents) Pharmaceutical Intermediates (8 patents)

Technical Specifications

Molecular FormulaC14H11FN2
Molecular Weight226.09062 g/mol
XLogP3.1
Topological Polar Surface Area (TPSA)17.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds2
Exact Mass226.09062 Da
Heavy Atoms17
Complexity251.0
SMILESC1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)F
InChIKeyQLQZBMMYHJKDSH-UHFFFAOYSA-N

Chemical Property Profile of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole

XLogP
3.1
TPSA (Topological Polar Surface Area)
17.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
17
Complexity
251.0
Exact Mass
226.09062
Monoisotopic Mass
226.09062
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole

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.

Frequently Asked Questions

What is the CAS number of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole?

The CAS number of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is 124443-67-0.

What is the molecular formula of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole?

The molecular formula of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is C14H11FN2.

What is the molecular weight of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole?

The molecular weight of 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole is 226.09062 g/mol.

Where can I buy 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole?

You can request a quote for 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole?

Yes, CoreyChem provides custom synthesis services for 1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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