1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid

C24H23F3N2O5 — CID 67870427

IUPAC1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(F)(F)F)n1Cc1ccc(OCc2cccc(C(=O)O)c2C)cc1
InChIInChI=1S/C24H23F3N2O5/c1-3-5-19-28-20(23(32)33)21(24(25,26)27)29(19)12-15-8-10-17(11-9-15)34-13-16-6-4-7-18(14(16)2)22(30)31/h4,6-11H,3,5,12-13H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyPYNFSTYKUZEMTK-UHFFFAOYSA-N
MW476.45 g/mol
LogP5.19
Rot. Bonds9

About 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid

1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid (PubChem CID 67870427) has the molecular formula C24H23F3N2O5 and a molecular weight of 476.45 g/mol. Its IUPAC name is 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid
PubChem CID67870427
Molecular FormulaC24H23F3N2O5
Molecular Weight476.45 g/mol
Exact Mass476.16
IUPAC Name1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(F)(F)F)n1Cc1ccc(OCc2cccc(C(=O)O)c2C)cc1
InChIInChI=1S/C24H23F3N2O5/c1-3-5-19-28-20(23(32)33)21(24(25,26)27)29(19)12-15-8-10-17(11-9-15)34-13-16-6-4-7-18(14(16)2)22(30)31/h4,6-11H,3,5,12-13H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyPYNFSTYKUZEMTK-UHFFFAOYSA-N
XLogP5.19
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)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-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid (CID 67870427) is 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(C(F)(F)F)n1Cc1ccc(OCc2cccc(C(=O)O)c2C)cc1.
What is the InChIKey of 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is PYNFSTYKUZEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O5/c1-3-5-19-28-20(23(32)33)21(24(25,26)27)29(19)12-15-8-10-17(11-9-15)34-13-16-6-4-7-18(14(16)2)22(30)31/h4,6-11H,3,5,12-13H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 476.45 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-carboxy-2-methylphenyl)methoxy]phenyl]methyl]-2-propyl-5-(trifluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 67870427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).