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

C12H12N2O4 — CID 134494418

IUPAC2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCc1cc(C2(C)NC(=O)NC2=O)ccc1C(=O)O
InChIInChI=1S/C12H12N2O4/c1-6-5-7(3-4-8(6)9(15)16)12(2)10(17)13-11(18)14-12/h3-5H,1-2H3,(H,15,16)(H2,13,14,17,18)
InChIKeyCKCIFKKNPCHOIM-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.75
Rot. Bonds2

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

2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 134494418) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID134494418
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCc1cc(C2(C)NC(=O)NC2=O)ccc1C(=O)O
InChIInChI=1S/C12H12N2O4/c1-6-5-7(3-4-8(6)9(15)16)12(2)10(17)13-11(18)14-12/h3-5H,1-2H3,(H,15,16)(H2,13,14,17,18)
InChIKeyCKCIFKKNPCHOIM-UHFFFAOYSA-N
XLogP0.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.75
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 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 134494418) is 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is Cc1cc(C2(C)NC(=O)NC2=O)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is CKCIFKKNPCHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-6-5-7(3-4-8(6)9(15)16)12(2)10(17)13-11(18)14-12/h3-5H,1-2H3,(H,15,16)(H2,13,14,17,18).
What are the key properties of 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 134494418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).