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

C12H9F3N2O4 — CID 134494746

IUPAC4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)c(C(F)(F)F)c2)NC(=O)NC1=O
InChIInChI=1S/C12H9F3N2O4/c1-11(9(20)16-10(21)17-11)5-2-3-6(8(18)19)7(4-5)12(13,14)15/h2-4H,1H3,(H,18,19)(H2,16,17,20,21)
InChIKeyGPXJPIQDKZPAAZ-UHFFFAOYSA-N
MW302.21 g/mol
LogP1.46
Rot. Bonds2

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

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid (PubChem CID 134494746) has the molecular formula C12H9F3N2O4 and a molecular weight of 302.21 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid
PubChem CID134494746
Molecular FormulaC12H9F3N2O4
Molecular Weight302.21 g/mol
Exact Mass302.05
IUPAC Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)c(C(F)(F)F)c2)NC(=O)NC1=O
InChIInChI=1S/C12H9F3N2O4/c1-11(9(20)16-10(21)17-11)5-2-3-6(8(18)19)7(4-5)12(13,14)15/h2-4H,1H3,(H,18,19)(H2,16,17,20,21)
InChIKeyGPXJPIQDKZPAAZ-UHFFFAOYSA-N
XLogP1.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 51.46
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-[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
3-Fluoro-2-(4-methyl-5-oxo-4-propan-2-ylimidazolidin-2-yl)benzoic acid
CID 13752223
3-fluoro-2-[(2S,4R)-4-methyl-5-oxo-4-propan-2-ylimidazolidin-2-yl]benzoic acid
CID 13752224
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid (CID 134494746) is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid is CC1(c2ccc(C(=O)O)c(C(F)(F)F)c2)NC(=O)NC1=O.
What is the InChIKey of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is GPXJPIQDKZPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4/c1-11(9(20)16-10(21)17-11)5-2-3-6(8(18)19)7(4-5)12(13,14)15/h2-4H,1H3,(H,18,19)(H2,16,17,20,21).
What are the key properties of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid?
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 302.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 134494746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).