5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid

C19H14Cl2FN3O3 — CID 69190047

IUPAC5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
SMILESCCc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C19H14Cl2FN3O3/c1-2-15-23-17(24-18(26)13-8-3-10(20)9-14(13)21)16(19(27)28)25(15)12-6-4-11(22)5-7-12/h3-9H,2H2,1H3,(H,24,26)(H,27,28)
InChIKeyWDEJZNHBJSVQOI-UHFFFAOYSA-N
MW422.24 g/mol
LogP4.83
Rot. Bonds5

About 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid

5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid (PubChem CID 69190047) has the molecular formula C19H14Cl2FN3O3 and a molecular weight of 422.24 g/mol. Its IUPAC name is 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
PubChem CID69190047
Molecular FormulaC19H14Cl2FN3O3
Molecular Weight422.24 g/mol
Exact Mass421.04
IUPAC Name5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
SMILESCCc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C19H14Cl2FN3O3/c1-2-15-23-17(24-18(26)13-8-3-10(20)9-14(13)21)16(19(27)28)25(15)12-6-4-11(22)5-7-12/h3-9H,2H2,1H3,(H,24,26)(H,27,28)
InChIKeyWDEJZNHBJSVQOI-UHFFFAOYSA-N
XLogP4.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)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 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid (CID 69190047) is 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid is CCc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is WDEJZNHBJSVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O3/c1-2-15-23-17(24-18(26)13-8-3-10(20)9-14(13)21)16(19(27)28)25(15)12-6-4-11(22)5-7-12/h3-9H,2H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid?
5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 422.24 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 69190047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).