5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole

C14H15F3N2 — CID 170111917

IUPAC5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole
SMILESCCc1ccc(Cc2cncn2C)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-3-10-4-5-11(13(6-10)14(15,16)17)7-12-8-18-9-19(12)2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyLBUFATJLBJXHRH-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.59
Rot. Bonds3

About 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole

5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole (PubChem CID 170111917) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole
PubChem CID170111917
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole
SMILESCCc1ccc(Cc2cncn2C)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-3-10-4-5-11(13(6-10)14(15,16)17)7-12-8-18-9-19(12)2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyLBUFATJLBJXHRH-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole 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 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole?
The IUPAC name of 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole (CID 170111917) is 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole.
What is the SMILES notation for 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole?
The canonical SMILES for 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole is CCc1ccc(Cc2cncn2C)c(C(F)(F)F)c1.
What is the InChIKey of 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole?
The InChIKey is LBUFATJLBJXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-3-10-4-5-11(13(6-10)14(15,16)17)7-12-8-18-9-19(12)2/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole?
5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole has a molecular weight of 268.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole is sourced from PubChem (CID 170111917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).