5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid

C12H9F3N2O2 — CID 141349982

IUPAC5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2/c1-6-9(17-10(16-6)11(18)19)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyYULDVLRJGBFVDL-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.10
Rot. Bonds2

About 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid

5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid (PubChem CID 141349982) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
PubChem CID141349982
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2/c1-6-9(17-10(16-6)11(18)19)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyYULDVLRJGBFVDL-UHFFFAOYSA-N
XLogP3.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-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

3-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 123453062
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642
6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid
CID 133091974
4,5-dimethyl-1H-imidazole-2-carboxylic acid
CID 14474276
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzoic acid
CID 136964683
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671677
6-fluoro-3-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxylate
CID 91934812

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid (CID 141349982) is 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid is Cc1[nH]c(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid?
The InChIKey is YULDVLRJGBFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-6-9(17-10(16-6)11(18)19)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid?
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 141349982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).