3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid

C17H11F3N2O4 — CID 10384140

IUPAC3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2C(=O)CN(c3cccc(C(F)(F)F)c3)C2=O)c1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)11-4-2-5-12(8-11)21-9-14(23)22(16(21)26)13-6-1-3-10(7-13)15(24)25/h1-8H,9H2,(H,24,25)
InChIKeyFXDSTCXPQUSHAQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.38
Rot. Bonds3

About 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid

3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid (PubChem CID 10384140) has the molecular formula C17H11F3N2O4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
PubChem CID10384140
Molecular FormulaC17H11F3N2O4
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cccc(N2C(=O)CN(c3cccc(C(F)(F)F)c3)C2=O)c1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)11-4-2-5-12(8-11)21-9-14(23)22(16(21)26)13-6-1-3-10(7-13)15(24)25/h1-8H,9H2,(H,24,25)
InChIKeyFXDSTCXPQUSHAQ-UHFFFAOYSA-N
XLogP3.38
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-(1,1-difluoroethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 58678608
1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid
CID 154460798
1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 79286115
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
(3aR,4S,8aS,8bS)-4-benzoyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 100824306
3-[3-(4-tert-butylphenyl)-2,5-dioxoimidazolidin-1-yl]benzoic acid;3-[3-[4-(1,1-difluoroethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid;3-[3-(3,4-dimethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzoic acid;3-[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzoic acid;bis(3-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzoic acid)
CID 91065190
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
4-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]piperazine-2,6-dione
CID 154285486

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
The IUPAC name of 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid (CID 10384140) is 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid is O=C(O)c1cccc(N2C(=O)CN(c3cccc(C(F)(F)F)c3)C2=O)c1.
What is the InChIKey of 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
The InChIKey is FXDSTCXPQUSHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4/c18-17(19,20)11-4-2-5-12(8-11)21-9-14(23)22(16(21)26)13-6-1-3-10(7-13)15(24)25/h1-8H,9H2,(H,24,25).
What are the key properties of 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid has a molecular weight of 364.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 10384140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).