1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol
TL;DR: 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol (CAS 852399-72-5) is a chemical compound with molecular formula C16H13FN2S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-(4-fluorophenyl)-1H-imidazole-2-thione
Also Known As: 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol, 3-benzyl-4-(4-fluorophenyl)-1H-imidazole-2-thione, 1-benzyl-5-(4-fluorophenyl)-3H-imidazole-2-thione, 1-Benzyl-5-(4-fluorophenyl)-1,3-dihydro-2H-imidazole-2-thione
| Molecular Formula | C16H13FN2S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 4.40009 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.07834 |
| Heavy Atoms | 20 |
| Complexity | 757.1759 |
Chemical Identifiers
| CAS Number | 852399-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=CNC2=S)C3=CC=C(C=C3)F |
Product Overview
1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol (CAS 852399-72-5), with molecular formula C16H13FN2S and molecular weight 284.08 g/mol. IUPAC: 3-benzyl-4-(4-fluorophenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol
Property Insights of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol
The XLogP value of 4.40009 indicates that 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol?
The CAS number of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol is 852399-72-5.
What is the molecular formula of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol?
The molecular formula of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol is C16H13FN2S.
What is the molecular weight of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol?
The molecular weight of 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol is 284.08 g/mol.
Where can I buy 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol?
You can request a quote for 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-(4-fluorophenyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.