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

C13H11F3N2O3 — CID 117189786

IUPAC1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid
SMILESCCn1cc(C(=O)O)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c1-2-18-7-9(11(19)20)17-12(18)21-10-6-4-3-5-8(10)13(14,15)16/h3-7H,2H2,1H3,(H,19,20)
InChIKeyHVMZBLAUJYGBAX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.41
Rot. Bonds4

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

1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid (PubChem CID 117189786) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid
PubChem CID117189786
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid
SMILESCCn1cc(C(=O)O)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c1-2-18-7-9(11(19)20)17-12(18)21-10-6-4-3-5-8(10)13(14,15)16/h3-7H,2H2,1H3,(H,19,20)
InChIKeyHVMZBLAUJYGBAX-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 114408349
3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190643
1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
CID 117217154
ethyl 1-methyl-3-[2-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934970
1-ethyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
CID 117217936
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
2-[4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]acetic acid
CID 117125430
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
but-1-ene;[2-(trifluoromethyl)phenyl] hydrogen carbonate
CID 160721930
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid?
The IUPAC name of 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid (CID 117189786) is 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid is CCn1cc(C(=O)O)nc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid?
The InChIKey is HVMZBLAUJYGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-2-18-7-9(11(19)20)17-12(18)21-10-6-4-3-5-8(10)13(14,15)16/h3-7H,2H2,1H3,(H,19,20).
What are the key properties of 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid?
1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid has a molecular weight of 300.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid is sourced from PubChem (CID 117189786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).