1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid

C11H6ClF3N2O2 — CID 55029975

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H6ClF3N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)17-4-9(10(18)19)16-5-17/h1-5H,(H,18,19)
InChIKeyFXPDYGNYLLSEFE-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.24
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid

1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid (PubChem CID 55029975) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
PubChem CID55029975
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H6ClF3N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)17-4-9(10(18)19)16-5-17/h1-5H,(H,18,19)
InChIKeyFXPDYGNYLLSEFE-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid (CID 55029975) is 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
The InChIKey is FXPDYGNYLLSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)17-4-9(10(18)19)16-5-17/h1-5H,(H,18,19).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid?
1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid has a molecular weight of 290.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 55029975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).