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

C18H12Cl2FN3O4 — CID 69190913

IUPAC5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
SMILESCOc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C18H12Cl2FN3O4/c1-28-18-23-15(22-16(25)12-7-2-9(19)8-13(12)20)14(17(26)27)24(18)11-5-3-10(21)4-6-11/h2-8H,1H3,(H,22,25)(H,26,27)
InChIKeyFDZHFZBDSGTMSJ-UHFFFAOYSA-N
MW424.22 g/mol
LogP4.28
Rot. Bonds5

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

5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid (PubChem CID 69190913) has the molecular formula C18H12Cl2FN3O4 and a molecular weight of 424.22 g/mol. Its IUPAC name is 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
PubChem CID69190913
Molecular FormulaC18H12Cl2FN3O4
Molecular Weight424.22 g/mol
Exact Mass423.02
IUPAC Name5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
SMILESCOc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C18H12Cl2FN3O4/c1-28-18-23-15(22-16(25)12-7-2-9(19)8-13(12)20)14(17(26)27)24(18)11-5-3-10(21)4-6-11/h2-8H,1H3,(H,22,25)(H,26,27)
InChIKeyFDZHFZBDSGTMSJ-UHFFFAOYSA-N
XLogP4.28
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.22
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
The IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid (CID 69190913) is 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid is COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
The InChIKey is FDZHFZBDSGTMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O4/c1-28-18-23-15(22-16(25)12-7-2-9(19)8-13(12)20)14(17(26)27)24(18)11-5-3-10(21)4-6-11/h2-8H,1H3,(H,22,25)(H,26,27).
What are the key properties of 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid has a molecular weight of 424.22 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid is sourced from PubChem (CID 69190913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).