2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole

C7H9F3N2O2 — CID 67548714

IUPAC2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOC(OC)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N2O2/c1-13-6(14-2)5-11-3-4(12-5)7(8,9)10/h3,6H,1-2H3,(H,11,12)
InChIKeyWOCJTBQTGNIJJZ-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.72
Rot. Bonds3

About 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole

2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 67548714) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.16 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID67548714
Molecular FormulaC7H9F3N2O2
Molecular Weight210.16 g/mol
Exact Mass210.06
IUPAC Name2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOC(OC)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N2O2/c1-13-6(14-2)5-11-3-4(12-5)7(8,9)10/h3,6H,1-2H3,(H,11,12)
InChIKeyWOCJTBQTGNIJJZ-UHFFFAOYSA-N
XLogP1.72
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dimethoxymethyl)-5-(trifluoromethyl)-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 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole (CID 67548714) is 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole is COC(OC)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is WOCJTBQTGNIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-13-6(14-2)5-11-3-4(12-5)7(8,9)10/h3,6H,1-2H3,(H,11,12).
What are the key properties of 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 210.16 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 67548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).