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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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).