1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione

C12H9ClN2O4 — CID 60623690

IUPAC1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2ccccc2Cl)C1=O
InChIInChI=1S/C12H9ClN2O4/c1-14-10(17)11(18)15(12(14)19)6-9(16)7-4-2-3-5-8(7)13/h2-5H,6H2,1H3
InChIKeyTUAIRDRVSUIWJO-UHFFFAOYSA-N
MW280.67 g/mol
LogP0.94
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione

1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 60623690) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID60623690
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2ccccc2Cl)C1=O
InChIInChI=1S/C12H9ClN2O4/c1-14-10(17)11(18)15(12(14)19)6-9(16)7-4-2-3-5-8(7)13/h2-5H,6H2,1H3
InChIKeyTUAIRDRVSUIWJO-UHFFFAOYSA-N
XLogP0.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione (CID 60623690) is 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CC(=O)c2ccccc2Cl)C1=O.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is TUAIRDRVSUIWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-14-10(17)11(18)15(12(14)19)6-9(16)7-4-2-3-5-8(7)13/h2-5H,6H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 280.67 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 60623690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).