2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C12H10BrFN2O4 — CID 103821056

IUPAC2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(c2ccc(F)cc2Br)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H10BrFN2O4/c1-12(7-3-2-6(14)4-8(7)13)10(19)16(5-9(17)18)11(20)15-12/h2-4H,5H2,1H3,(H,15,20)(H,17,18)
InChIKeyRMJJWLKZYDWPJX-UHFFFAOYSA-N
MW345.12 g/mol
LogP1.44
Rot. Bonds3

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

2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 103821056) has the molecular formula C12H10BrFN2O4 and a molecular weight of 345.12 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID103821056
Molecular FormulaC12H10BrFN2O4
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC1(c2ccc(F)cc2Br)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H10BrFN2O4/c1-12(7-3-2-6(14)4-8(7)13)10(19)16(5-9(17)18)11(20)15-12/h2-4H,5H2,1H3,(H,15,20)(H,17,18)
InChIKeyRMJJWLKZYDWPJX-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 51.44
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-[(4R)-4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93266434
2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 52910073
5-(4-bromo-2-fluorophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155529560
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
N-[(2-bromophenyl)methyl]-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 46815577
(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-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064
2-[(4S)-4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 95148221
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 103821056) is 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is CC1(c2ccc(F)cc2Br)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is RMJJWLKZYDWPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O4/c1-12(7-3-2-6(14)4-8(7)13)10(19)16(5-9(17)18)11(20)15-12/h2-4H,5H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 345.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 103821056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).