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

C18H15F3N2O2S — CID 10452350

IUPAC2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1ccccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H15F3N2O2S/c1-12-5-3-4-6-15(12)17-22-16(18(19,20)21)11-23(17)13-7-9-14(10-8-13)26(2,24)25/h3-11H,1-2H3
InChIKeyLKGHHHUFGXYFEN-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.27
Rot. Bonds3

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

2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10452350) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10452350
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC Name2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1ccccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H15F3N2O2S/c1-12-5-3-4-6-15(12)17-22-16(18(19,20)21)11-23(17)13-7-9-14(10-8-13)26(2,24)25/h3-11H,1-2H3
InChIKeyLKGHHHUFGXYFEN-UHFFFAOYSA-N
XLogP4.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10452350) is 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is Cc1ccccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is LKGHHHUFGXYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-12-5-3-4-6-15(12)17-22-16(18(19,20)21)11-23(17)13-7-9-14(10-8-13)26(2,24)25/h3-11H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 380.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10452350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).