5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

C16H18ClN3O3 — CID 2999552

IUPAC5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-16(11-4-6-12(17)7-5-11)14(22)20(15(23)18-16)10-13(21)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,18,23)
InChIKeyXJEMWHXJMGBPRG-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.73
Rot. Bonds3

About 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 2999552) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID2999552
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O3/c1-16(11-4-6-12(17)7-5-11)14(22)20(15(23)18-16)10-13(21)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,18,23)
InChIKeyXJEMWHXJMGBPRG-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (CID 2999552) is 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is XJEMWHXJMGBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-16(11-4-6-12(17)7-5-11)14(22)20(15(23)18-16)10-13(21)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,18,23).
What are the key properties of 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 335.79 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2999552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).