2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid

C11H8ClN3O4 — CID 63724627

IUPAC2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1C(=O)O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H8ClN3O4/c12-5-2-1-3-6(8(5)10(17)18)14-9(16)7-4-13-11(19)15-7/h1-4H,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyAGBPIKPIVIKVGQ-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid

2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid (PubChem CID 63724627) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
PubChem CID63724627
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Name2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1C(=O)O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H8ClN3O4/c12-5-2-1-3-6(8(5)10(17)18)14-9(16)7-4-13-11(19)15-7/h1-4H,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyAGBPIKPIVIKVGQ-UHFFFAOYSA-N
XLogP1.31
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid (CID 63724627) is 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid is O=C(Nc1cccc(Cl)c1C(=O)O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
The InChIKey is AGBPIKPIVIKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c12-5-2-1-3-6(8(5)10(17)18)14-9(16)7-4-13-11(19)15-7/h1-4H,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid?
2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid has a molecular weight of 281.66 g/mol, XLogP of 1.31, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63724627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).