4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

C11H10N2O4 — CID 23136837

IUPAC4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChIKeyGQOVIFKCRUPMQR-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.44
Rot. Bonds2

About 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 23136837) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID23136837
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChIKeyGQOVIFKCRUPMQR-UHFFFAOYSA-N
XLogP0.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 23136837) is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is CC1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O.
What is the InChIKey of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is GQOVIFKCRUPMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17).
What are the key properties of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid has a molecular weight of 234.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 23136837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).