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

C12H11F3N2 — CID 67818870

IUPAC2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1ccc(-n2cc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C12H11F3N2/c1-8-3-5-10(6-4-8)17-7-11(12(13,14)15)16-9(17)2/h3-7H,1-2H3
InChIKeyNLLYAFRWKZHLSF-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.51
Rot. Bonds1

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

2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 67818870) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID67818870
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
SMILESCc1ccc(-n2cc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C12H11F3N2/c1-8-3-5-10(6-4-8)17-7-11(12(13,14)15)16-9(17)2/h3-7H,1-2H3
InChIKeyNLLYAFRWKZHLSF-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)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 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole (CID 67818870) is 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole is Cc1ccc(-n2cc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is NLLYAFRWKZHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-3-5-10(6-4-8)17-7-11(12(13,14)15)16-9(17)2/h3-7H,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole?
2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 240.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 67818870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).