2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid

C14H16N2O4 — CID 110187862

IUPAC2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid
SMILESCC(C)C1(C)NC(=O)N(c2ccccc2C(=O)O)C1=O
InChIInChI=1S/C14H16N2O4/c1-8(2)14(3)12(19)16(13(20)15-14)10-7-5-4-6-9(10)11(17)18/h4-8H,1-3H3,(H,15,20)(H,17,18)
InChIKeyINYMNLUOUWFNKK-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.86
Rot. Bonds3

About 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid

2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid (PubChem CID 110187862) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid
PubChem CID110187862
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid
SMILESCC(C)C1(C)NC(=O)N(c2ccccc2C(=O)O)C1=O
InChIInChI=1S/C14H16N2O4/c1-8(2)14(3)12(19)16(13(20)15-14)10-7-5-4-6-9(10)11(17)18/h4-8H,1-3H3,(H,15,20)(H,17,18)
InChIKeyINYMNLUOUWFNKK-UHFFFAOYSA-N
XLogP1.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic 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 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid?
The IUPAC name of 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid (CID 110187862) is 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid is CC(C)C1(C)NC(=O)N(c2ccccc2C(=O)O)C1=O.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid?
The InChIKey is INYMNLUOUWFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)14(3)12(19)16(13(20)15-14)10-7-5-4-6-9(10)11(17)18/h4-8H,1-3H3,(H,15,20)(H,17,18).
What are the key properties of 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid?
2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)benzoic acid is sourced from PubChem (CID 110187862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).