2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C12H10F2N2O4 — CID 93266434

IUPAC2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESC[C@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H10F2N2O4/c1-12(7-3-2-6(13)4-8(7)14)10(19)16(5-9(17)18)11(20)15-12/h2-4H,5H2,1H3,(H,15,20)(H,17,18)/t12-/m1/s1
InChIKeyZWPBYAOWRZBOCL-GFCCVEGCSA-N
MW284.22 g/mol
LogP0.82
Rot. Bonds3

About 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 93266434) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID93266434
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESC[C@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H10F2N2O4/c1-12(7-3-2-6(13)4-8(7)14)10(19)16(5-9(17)18)11(20)15-12/h2-4H,5H2,1H3,(H,15,20)(H,17,18)/t12-/m1/s1
InChIKeyZWPBYAOWRZBOCL-GFCCVEGCSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 103821056
5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
N-cyclopentyl-N-cyclopropyl-2-[4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 87019809
5-(2,4-difluorophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 110005287
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7801352
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 93266434) is 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is C[C@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is ZWPBYAOWRZBOCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c1-12(7-3-2-6(13)4-8(7)14)10(19)16(5-9(17)18)11(20)15-12/h2-4H,5H2,1H3,(H,15,20)(H,17,18)/t12-/m1/s1.
What are the key properties of 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 284.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 93266434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).