2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate

C11H8ClN2O4- — CID 4062868

IUPAC2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
SMILESO=C([O-])CC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)/p-1
InChIKeyUDOPITICNQWATG-UHFFFAOYSA-M
MW267.65 g/mol
LogP-0.10
Rot. Bonds3

About 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate

2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate (PubChem CID 4062868) has the molecular formula C11H8ClN2O4- and a molecular weight of 267.65 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
PubChem CID4062868
Molecular FormulaC11H8ClN2O4-
Molecular Weight267.65 g/mol
Exact Mass267.02
IUPAC Name2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
SMILESO=C([O-])CC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)/p-1
InChIKeyUDOPITICNQWATG-UHFFFAOYSA-M
XLogP-0.10
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.65
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride
CID 44604673
2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120611
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514778
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119429245
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
CID 119643950
(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 93037488
N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119605285

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate?
The IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate (CID 4062868) is 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate is O=C([O-])CC1NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate?
The InChIKey is UDOPITICNQWATG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)/p-1.
What are the key properties of 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate?
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate has a molecular weight of 267.65 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate is sourced from PubChem (CID 4062868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).