5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole

C17H11ClF4N2O2S — CID 22747206

IUPAC5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H11ClF4N2O2S/c1-27(25,26)15-11(19)6-9(7-12(15)20)14-13(23-17(24-14)16(21)22)8-2-4-10(18)5-3-8/h2-7,16H,1H3,(H,23,24)
InChIKeyVQCUIQAXCKKASY-UHFFFAOYSA-N
MW418.80 g/mol
LogP5.02
Rot. Bonds4

About 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole

5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole (PubChem CID 22747206) has the molecular formula C17H11ClF4N2O2S and a molecular weight of 418.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
PubChem CID22747206
Molecular FormulaC17H11ClF4N2O2S
Molecular Weight418.80 g/mol
Exact Mass418.02
IUPAC Name5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H11ClF4N2O2S/c1-27(25,26)15-11(19)6-9(7-12(15)20)14-13(23-17(24-14)16(21)22)8-2-4-10(18)5-3-8/h2-7,16H,1H3,(H,23,24)
InChIKeyVQCUIQAXCKKASY-UHFFFAOYSA-N
XLogP5.02
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.80
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
CID 22746273
4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746599
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746037
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22745862
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
2-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethoxy)phenyl]-1H-imidazole
CID 22746916
3-(4-bromophenyl)-5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1,2-oxazole
CID 22746259
3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
CID 10112843
3-chloro-6-(3,5-difluoro-4-methylsulfonylphenyl)pyridazine-4-carboxamide
CID 10066296
1,3-difluoro-2-methylsulfonyl-5-phenylbenzene
CID 123960607
5-(3-chloro-4-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 139972082
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole (CID 22747206) is 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole is CS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
The InChIKey is VQCUIQAXCKKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O2S/c1-27(25,26)15-11(19)6-9(7-12(15)20)14-13(23-17(24-14)16(21)22)8-2-4-10(18)5-3-8/h2-7,16H,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole has a molecular weight of 418.80 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole is sourced from PubChem (CID 22747206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).