5-methyl-4-(trifluoromethoxy)-1H-imidazole

C5H5F3N2O — CID 54388746

IUPAC5-methyl-4-(trifluoromethoxy)-1H-imidazole
SMILESCc1[nH]cnc1OC(F)(F)F
InChIInChI=1S/C5H5F3N2O/c1-3-4(10-2-9-3)11-5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyIPCUDXHQORXTEC-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.62
Rot. Bonds1

About 5-methyl-4-(trifluoromethoxy)-1H-imidazole

5-methyl-4-(trifluoromethoxy)-1H-imidazole (PubChem CID 54388746) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethoxy)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethoxy)-1H-imidazole
PubChem CID54388746
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-methyl-4-(trifluoromethoxy)-1H-imidazole
SMILESCc1[nH]cnc1OC(F)(F)F
InChIInChI=1S/C5H5F3N2O/c1-3-4(10-2-9-3)11-5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyIPCUDXHQORXTEC-UHFFFAOYSA-N
XLogP1.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-(trifluoromethoxy)-1H-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 5-methyl-4-(trifluoromethoxy)-1H-imidazole?
The IUPAC name of 5-methyl-4-(trifluoromethoxy)-1H-imidazole (CID 54388746) is 5-methyl-4-(trifluoromethoxy)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-(trifluoromethoxy)-1H-imidazole?
The canonical SMILES for 5-methyl-4-(trifluoromethoxy)-1H-imidazole is Cc1[nH]cnc1OC(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethoxy)-1H-imidazole?
The InChIKey is IPCUDXHQORXTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c1-3-4(10-2-9-3)11-5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 5-methyl-4-(trifluoromethoxy)-1H-imidazole?
5-methyl-4-(trifluoromethoxy)-1H-imidazole has a molecular weight of 166.10 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethoxy)-1H-imidazole is sourced from PubChem (CID 54388746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).