5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole

C17H14ClFN2O2S — CID 20970887

IUPAC5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole
SMILESCn1c(-c2ccc(Cl)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O2S/c1-21-16(13-4-6-14(18)7-5-13)10-20-17(21)24(22,23)11-12-2-8-15(19)9-3-12/h2-10H,11H2,1H3
InChIKeyWWCWWKUZDDQDDH-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.85
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole

5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole (PubChem CID 20970887) has the molecular formula C17H14ClFN2O2S and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole
PubChem CID20970887
Molecular FormulaC17H14ClFN2O2S
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC Name5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole
SMILESCn1c(-c2ccc(Cl)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O2S/c1-21-16(13-4-6-14(18)7-5-13)10-20-17(21)24(22,23)11-12-2-8-15(19)9-3-12/h2-10H,11H2,1H3
InChIKeyWWCWWKUZDDQDDH-UHFFFAOYSA-N
XLogP3.85
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-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-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole (CID 20970887) is 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole is Cn1c(-c2ccc(Cl)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole?
The InChIKey is WWCWWKUZDDQDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S/c1-21-16(13-4-6-14(18)7-5-13)10-20-17(21)24(22,23)11-12-2-8-15(19)9-3-12/h2-10H,11H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole?
5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole has a molecular weight of 364.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-1-methylimidazole is sourced from PubChem (CID 20970887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).