4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole

C18H12F6N2O2S — CID 138377314

IUPAC4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1ccc(S(=O)(=O)c2ncn(-c3ccc(C(F)(F)F)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N2O2S/c1-11-2-8-14(9-3-11)29(27,28)16-15(18(22,23)24)26(10-25-16)13-6-4-12(5-7-13)17(19,20)21/h2-10H,1H3
InChIKeyRUFZMWYRRLVOFQ-UHFFFAOYSA-N
MW434.36 g/mol
LogP5.05
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole

4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 138377314) has the molecular formula C18H12F6N2O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID138377314
Molecular FormulaC18H12F6N2O2S
Molecular Weight434.36 g/mol
Exact Mass434.05
IUPAC Name4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1ccc(S(=O)(=O)c2ncn(-c3ccc(C(F)(F)F)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N2O2S/c1-11-2-8-14(9-3-11)29(27,28)16-15(18(22,23)24)26(10-25-16)13-6-4-12(5-7-13)17(19,20)21/h2-10H,1H3
InChIKeyRUFZMWYRRLVOFQ-UHFFFAOYSA-N
XLogP5.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole (CID 138377314) is 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole is Cc1ccc(S(=O)(=O)c2ncn(-c3ccc(C(F)(F)F)cc3)c2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is RUFZMWYRRLVOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O2S/c1-11-2-8-14(9-3-11)29(27,28)16-15(18(22,23)24)26(10-25-16)13-6-4-12(5-7-13)17(19,20)21/h2-10H,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole?
4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 434.36 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 138377314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).