5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole

C14H11FN2OS — CID 141163637

IUPAC5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole
SMILESCn1c(-c2ccc(F)cc2)cnc1Sc1ccco1
InChIInChI=1S/C14H11FN2OS/c1-17-12(10-4-6-11(15)7-5-10)9-16-14(17)19-13-3-2-8-18-13/h2-9H,1H3
InChIKeyWPDQREWQTOMNLA-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.97
Rot. Bonds3

About 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole

5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole (PubChem CID 141163637) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole
PubChem CID141163637
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole
SMILESCn1c(-c2ccc(F)cc2)cnc1Sc1ccco1
InChIInChI=1S/C14H11FN2OS/c1-17-12(10-4-6-11(15)7-5-10)9-16-14(17)19-13-3-2-8-18-13/h2-9H,1H3
InChIKeyWPDQREWQTOMNLA-UHFFFAOYSA-N
XLogP3.97
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole?
The IUPAC name of 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole (CID 141163637) is 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole is Cn1c(-c2ccc(F)cc2)cnc1Sc1ccco1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole?
The InChIKey is WPDQREWQTOMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-17-12(10-4-6-11(15)7-5-10)9-16-14(17)19-13-3-2-8-18-13/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole?
5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole has a molecular weight of 274.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(furan-2-ylsulfanyl)-1-methylimidazole is sourced from PubChem (CID 141163637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).