5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione

C11H7ClN2O2 — CID 143512660

IUPAC5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#Cc2ccccc2Cl)N1
InChIInChI=1S/C11H7ClN2O2/c12-8-4-2-1-3-7(8)5-6-9-10(15)14-11(16)13-9/h1-4,9H,(H2,13,14,15,16)
InChIKeyWSNPYBGXELAFQH-UHFFFAOYSA-N
MW234.64 g/mol
LogP0.90
Rot. Bonds

About 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione

5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 143512660) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione
PubChem CID143512660
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#Cc2ccccc2Cl)N1
InChIInChI=1S/C11H7ClN2O2/c12-8-4-2-1-3-7(8)5-6-9-10(15)14-11(16)13-9/h1-4,9H,(H2,13,14,15,16)
InChIKeyWSNPYBGXELAFQH-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-4-methylbenzamide
CID 143990882
5-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 67491988
5-[2-(6-methyl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
CID 70313078
2-(2-chlorophenyl)ethynesulfonyl chloride
CID 117265331
5-(2-chlorobenzoyl)imidazolidine-2,4-dione
CID 174599084
5-[2-[4-(1-hydroxypropan-2-yl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 143991186
5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione
CID 143512545
1-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]-N-methylcyclobutane-1-carboxamide
CID 143990752
3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 102522223
6-[2-[(4S)-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 70889889
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 143990849

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione (CID 143512660) is 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C#Cc2ccccc2Cl)N1.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is WSNPYBGXELAFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-8-4-2-1-3-7(8)5-6-9-10(15)14-11(16)13-9/h1-4,9H,(H2,13,14,15,16).
What are the key properties of 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione?
5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 234.64 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143512660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).