3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

C11H10N2O4 — CID 58719580

IUPAC3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2cccc(C(=O)O)c2)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-3-6(5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChIKeyJGUDKWCSKIHORD-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.44
Rot. Bonds2

About 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 58719580) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID58719580
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESCC1(c2cccc(C(=O)O)c2)NC(=O)NC1=O
InChIInChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-3-6(5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChIKeyJGUDKWCSKIHORD-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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Related Compounds

4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 23136837
4-[4-(2,5-Dioxoimidazolidin-4-yl)phenyl]benzoic acid
CID 57397337
3-[(2,5-Dioxoimidazolidin-1-yl)methyl]benzoic acid
CID 16227940
2-Fluoro-5-[(2,4,5-trioxoimidazolidin-1-yl)methyl]benzoic acid
CID 68331971
2-[[4-(3-Fluorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]prop-2-enoic acid
CID 70400713
2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 134494263
4-[4-(Fluoromethyl)-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 134494407
2,3-Difluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494537
4-(4-Ethyl-2,5-dioxoimidazolidin-4-yl)-2-fluorobenzoic acid
CID 134494561
4-[2,5-Dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid
CID 134494660
4-(4-Ethyl-2,5-dioxoimidazolidin-4-yl)-3-fluorobenzoic acid
CID 134494714
2-Fluoro-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494726

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 58719580) is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is CC1(c2cccc(C(=O)O)c2)NC(=O)NC1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is JGUDKWCSKIHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-3-6(5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17).
What are the key properties of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
3-(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 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 58719580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).