2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid

C11H9ClN2O4 — CID 3047053

IUPAC2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESO=C(O)CC1NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C11H9ClN2O4/c12-6-2-1-3-7(4-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)
InChIKeyMGXOWLALRCYISZ-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.24
Rot. Bonds3

About 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid

2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 3047053) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID3047053
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESO=C(O)CC1NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C11H9ClN2O4/c12-6-2-1-3-7(4-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)
InChIKeyMGXOWLALRCYISZ-UHFFFAOYSA-N
XLogP1.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.24
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)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
CID 124848217
3-[2-[[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]methyl]pyrrolidin-1-yl]benzoic acid
CID 139034303
3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43557973
2-[(4S)-2,5-dioxo-1-thiophen-3-ylimidazolidin-4-yl]acetic acid
CID 102323019
2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868
2-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 776640
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 84635455
(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
CID 92538299
3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 3713625
3-(3-chlorophenyl)-5-methyl-1,3-diazepane-2,4-dione
CID 80541037

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 3047053) is 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid is O=C(O)CC1NC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is MGXOWLALRCYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c12-6-2-1-3-7(4-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16).
What are the key properties of 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 268.66 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 3047053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).