4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole

C16H11ClF2N2O2S — CID 10133653

IUPAC4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H11ClF2N2O2S/c1-24(22,23)14-4-2-13(3-5-14)21-9-20-16(17)15(21)10-6-11(18)8-12(19)7-10/h2-9H,1H3
InChIKeyCMTBYFJMHRVZIE-UHFFFAOYSA-N
MW368.79 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole

4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10133653) has the molecular formula C16H11ClF2N2O2S and a molecular weight of 368.79 g/mol. Its IUPAC name is 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10133653
Molecular FormulaC16H11ClF2N2O2S
Molecular Weight368.79 g/mol
Exact Mass368.02
IUPAC Name4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H11ClF2N2O2S/c1-24(22,23)14-4-2-13(3-5-14)21-9-20-16(17)15(21)10-6-11(18)8-12(19)7-10/h2-9H,1H3
InChIKeyCMTBYFJMHRVZIE-UHFFFAOYSA-N
XLogP3.87
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
4-[2-(3-Chloro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9801204
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
4-[5-(4-Fluorophenyl)-3-(4-methylsulfinylphenyl)imidazol-4-yl]pyridine
CID 10091003
4-Chloro-5-(4-isopropyl-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10109982
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
CID 10110298
4-[2-(3-Chloro-4-methyl-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10158806
1-(4-Methanesulfonyl-phenyl)-2-p-tolyl-4-trifluoromethyl-1H-imidazole
CID 10199764
2-(3-Fluoro-5-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10200861
{4-[5-Chloro-3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-phenyl}-diethyl-amine
CID 10222861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole (CID 10133653) is 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole is CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is CMTBYFJMHRVZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O2S/c1-24(22,23)14-4-2-13(3-5-14)21-9-20-16(17)15(21)10-6-11(18)8-12(19)7-10/h2-9H,1H3.
What are the key properties of 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 368.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,5-difluorophenyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10133653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).