5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

C17H11F5N2O2S — CID 18463565

IUPAC5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H11F5N2O2S/c1-27(25,26)11-5-2-9(3-6-11)14-15(24-16(23-14)17(20,21)22)12-7-4-10(18)8-13(12)19/h2-8H,1H3,(H,23,24)
InChIKeyWVUNEFGHRUQCAO-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.44
Rot. Bonds3

About 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463565) has the molecular formula C17H11F5N2O2S and a molecular weight of 402.34 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463565
Molecular FormulaC17H11F5N2O2S
Molecular Weight402.34 g/mol
Exact Mass402.05
IUPAC Name5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H11F5N2O2S/c1-27(25,26)11-5-2-9(3-6-11)14-15(24-16(23-14)17(20,21)22)12-7-4-10(18)8-13(12)19/h2-8H,1H3,(H,23,24)
InChIKeyWVUNEFGHRUQCAO-UHFFFAOYSA-N
XLogP4.44
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 18463565) is 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2F)cc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is WVUNEFGHRUQCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2S/c1-27(25,26)11-5-2-9(3-6-11)14-15(24-16(23-14)17(20,21)22)12-7-4-10(18)8-13(12)19/h2-8H,1H3,(H,23,24).
What are the key properties of 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 402.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).