1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane

C11H13ClN2O2 — CID 177019108

IUPAC1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
SMILESCC.O=C1CN(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C9H7ClN2O2.C2H6/c10-6-1-3-7(4-2-6)12-5-8(13)11-9(12)14;1-2/h1-4H,5H2,(H,11,13,14);1-2H3
InChIKeyDKPCLLPZGTVKKM-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.42
Rot. Bonds1

About 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane

1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane (PubChem CID 177019108) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane.

Molecular Properties

Compound Name1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
PubChem CID177019108
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
SMILESCC.O=C1CN(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C9H7ClN2O2.C2H6/c10-6-1-3-7(4-2-6)12-5-8(13)11-9(12)14;1-2/h1-4H,5H2,(H,11,13,14);1-2H3
InChIKeyDKPCLLPZGTVKKM-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane?
The IUPAC name of 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane (CID 177019108) is 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane.
What is the SMILES notation for 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane?
The canonical SMILES for 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane is CC.O=C1CN(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane?
The InChIKey is DKPCLLPZGTVKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2.C2H6/c10-6-1-3-7(4-2-6)12-5-8(13)11-9(12)14;1-2/h1-4H,5H2,(H,11,13,14);1-2H3.
What are the key properties of 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane?
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane has a molecular weight of 240.69 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane is sourced from PubChem (CID 177019108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).