2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C17H12ClF3N2O2S — CID 10501190

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-10-15(17(19,20)21)22-16(23)11-2-4-12(18)5-3-11/h2-10H,1H3
InChIKeyDWOMXLCOZHJDME-UHFFFAOYSA-N
MW400.81 g/mol
LogP4.61
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10501190) has the molecular formula C17H12ClF3N2O2S and a molecular weight of 400.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10501190
Molecular FormulaC17H12ClF3N2O2S
Molecular Weight400.81 g/mol
Exact Mass400.03
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-10-15(17(19,20)21)22-16(23)11-2-4-12(18)5-3-11/h2-10H,1H3
InChIKeyDWOMXLCOZHJDME-UHFFFAOYSA-N
XLogP4.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10501190) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is DWOMXLCOZHJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-10-15(17(19,20)21)22-16(23)11-2-4-12(18)5-3-11/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 400.81 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10501190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).