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

C18H13ClFN3O4 — CID 69190952

IUPAC5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
SMILESCOc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O4/c1-27-18-22-15(21-16(24)10-2-4-11(19)5-3-10)14(17(25)26)23(18)13-8-6-12(20)7-9-13/h2-9H,1H3,(H,21,24)(H,25,26)
InChIKeyPGDKRUOUUUFVLY-UHFFFAOYSA-N
MW389.77 g/mol
LogP3.62
Rot. Bonds5

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

5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid (PubChem CID 69190952) has the molecular formula C18H13ClFN3O4 and a molecular weight of 389.77 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
PubChem CID69190952
Molecular FormulaC18H13ClFN3O4
Molecular Weight389.77 g/mol
Exact Mass389.06
IUPAC Name5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
SMILESCOc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)n1-c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O4/c1-27-18-22-15(21-16(24)10-2-4-11(19)5-3-10)14(17(25)26)23(18)13-8-6-12(20)7-9-13/h2-9H,1H3,(H,21,24)(H,25,26)
InChIKeyPGDKRUOUUUFVLY-UHFFFAOYSA-N
XLogP3.62
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid (CID 69190952) is 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid is COc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
The InChIKey is PGDKRUOUUUFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O4/c1-27-18-22-15(21-16(24)10-2-4-11(19)5-3-10)14(17(25)26)23(18)13-8-6-12(20)7-9-13/h2-9H,1H3,(H,21,24)(H,25,26).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid?
5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid has a molecular weight of 389.77 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid is sourced from PubChem (CID 69190952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).