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

C12H10N2O2 — CID 143991072

IUPAC5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione
SMILESCc1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C12H10N2O2/c1-8-2-4-9(5-3-8)6-7-10-11(15)14-12(16)13-10/h2-5,10H,1H3,(H2,13,14,15,16)
InChIKeyMXRGTGQLSMYJJB-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.55
Rot. Bonds

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

5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 143991072) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione
PubChem CID143991072
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione
SMILESCc1ccc(C#CC2NC(=O)NC2=O)cc1
InChIInChI=1S/C12H10N2O2/c1-8-2-4-9(5-3-8)6-7-10-11(15)14-12(16)13-10/h2-5,10H,1H3,(H2,13,14,15,16)
InChIKeyMXRGTGQLSMYJJB-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione (CID 143991072) is 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione is Cc1ccc(C#CC2NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is MXRGTGQLSMYJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-2-4-9(5-3-8)6-7-10-11(15)14-12(16)13-10/h2-5,10H,1H3,(H2,13,14,15,16).
What are the key properties of 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione?
5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143991072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).