4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid

C11H7F3N2O4 — CID 134494660

IUPAC4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid
SMILESO=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C(F)(F)F)N1
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)10(8(19)15-9(20)16-10)6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H2,15,16,19,20)
InChIKeySSMJLPPSIDZLHT-UHFFFAOYSA-N
MW288.18 g/mol
LogP0.98
Rot. Bonds2

About 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid

4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid (PubChem CID 134494660) has the molecular formula C11H7F3N2O4 and a molecular weight of 288.18 g/mol. Its IUPAC name is 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid
PubChem CID134494660
Molecular FormulaC11H7F3N2O4
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Name4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid
SMILESO=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C(F)(F)F)N1
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)10(8(19)15-9(20)16-10)6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H2,15,16,19,20)
InChIKeySSMJLPPSIDZLHT-UHFFFAOYSA-N
XLogP0.98
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 50.98
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
3-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 58719580
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzoic acid
CID 2285221
4-[4-(2,5-Dioxoimidazolidin-4-yl)phenyl]benzoic acid
CID 57397337
4-[1-[2-(2,4-Difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 155545645
4-{(E)-[1-(2-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid
CID 2190839
4-{(E)-[1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid
CID 1815132
3-[4-(3-Fluorophenyl)-2,5-dioxoimidazolidin-4-yl]prop-2-enoic acid
CID 54218719
2-Fluoro-5-[(2,4,5-trioxoimidazolidin-1-yl)methyl]benzoic acid
CID 68331971
5-[4-(2,2,2-Trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione
CID 70889792
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

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid?
The IUPAC name of 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid (CID 134494660) is 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid?
The canonical SMILES for 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid is O=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C(F)(F)F)N1.
What is the InChIKey of 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid?
The InChIKey is SSMJLPPSIDZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4/c12-11(13,14)10(8(19)15-9(20)16-10)6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H2,15,16,19,20).
What are the key properties of 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid?
4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid has a molecular weight of 288.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzoic acid is sourced from PubChem (CID 134494660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).