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

C17H18F4N2O2S — CID 22746273

IUPAC5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2C2CCCCC2)cc1F
InChIInChI=1S/C17H18F4N2O2S/c1-26(24,25)15-11(18)7-10(8-12(15)19)14-13(9-5-3-2-4-6-9)22-17(23-14)16(20)21/h7-9,16H,2-6H2,1H3,(H,22,23)
InChIKeyGQINLGVVZZDMPZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.74
Rot. Bonds4

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

5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole (PubChem CID 22746273) has the molecular formula C17H18F4N2O2S and a molecular weight of 390.40 g/mol. Its IUPAC name is 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
PubChem CID22746273
Molecular FormulaC17H18F4N2O2S
Molecular Weight390.40 g/mol
Exact Mass390.10
IUPAC Name5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2C2CCCCC2)cc1F
InChIInChI=1S/C17H18F4N2O2S/c1-26(24,25)15-11(18)7-10(8-12(15)19)14-13(9-5-3-2-4-6-9)22-17(23-14)16(20)21/h7-9,16H,2-6H2,1H3,(H,22,23)
InChIKeyGQINLGVVZZDMPZ-UHFFFAOYSA-N
XLogP4.74
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole
CID 22747206
4-cyclopentyl-3-(3,5-difluoro-4-methylsulfonylphenyl)pyridine
CID 22745664
4-cyclopentyl-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754719
4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22746599
1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 10200635
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 22745862
1,3-difluoro-2-methylsulfonyl-5-phenylbenzene
CID 123960607
3-(4-bromophenyl)-5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1,2-oxazole
CID 22746259
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 22746035
4-(2-cyclopentylcyclopenten-1-yl)-2,6-difluorobenzenesulfonamide
CID 22745652
3-(difluoromethyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-1-(3,4-difluorophenyl)pyrazole
CID 10112843
3,5-difluoro-4-methylsulfonylbenzaldehyde
CID 11499527

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
The IUPAC name of 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole (CID 22746273) is 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole.
What is the SMILES notation for 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
The canonical SMILES for 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole is CS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2C2CCCCC2)cc1F.
What is the InChIKey of 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
The InChIKey is GQINLGVVZZDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2O2S/c1-26(24,25)15-11(18)7-10(8-12(15)19)14-13(9-5-3-2-4-6-9)22-17(23-14)16(20)21/h7-9,16H,2-6H2,1H3,(H,22,23).
What are the key properties of 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole?
5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole has a molecular weight of 390.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1H-imidazole is sourced from PubChem (CID 22746273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).