1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole

C13H13F3N2O — CID 117189729

IUPAC1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole
SMILESCCn1cc(C)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-3-18-8-9(2)17-12(18)19-11-7-5-4-6-10(11)13(14,15)16/h4-8H,3H2,1-2H3
InChIKeyJSQPGPCDNSGZQA-UHFFFAOYSA-N
MW270.25 g/mol
LogP4.02
Rot. Bonds3

About 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole

1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole (PubChem CID 117189729) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole.

Molecular Properties

Compound Name1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole
PubChem CID117189729
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole
SMILESCCn1cc(C)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-3-18-8-9(2)17-12(18)19-11-7-5-4-6-10(11)13(14,15)16/h4-8H,3H2,1-2H3
InChIKeyJSQPGPCDNSGZQA-UHFFFAOYSA-N
XLogP4.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]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 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole?
The IUPAC name of 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole (CID 117189729) is 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole.
What is the SMILES notation for 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole?
The canonical SMILES for 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole is CCn1cc(C)nc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole?
The InChIKey is JSQPGPCDNSGZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-3-18-8-9(2)17-12(18)19-11-7-5-4-6-10(11)13(14,15)16/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole?
1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole has a molecular weight of 270.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2-[2-(trifluoromethyl)phenoxy]imidazole is sourced from PubChem (CID 117189729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).