5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione

C13H16N2O2 — CID 4962033

IUPAC5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-3-4-9-5-7-10(8-6-9)13(2)11(16)14-12(17)15-13/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyIOWQZPBYACJJOQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.69
Rot. Bonds3

About 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione

5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (PubChem CID 4962033) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
PubChem CID4962033
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-3-4-9-5-7-10(8-6-9)13(2)11(16)14-12(17)15-13/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyIOWQZPBYACJJOQ-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
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 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (CID 4962033) is 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is CCCc1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The InChIKey is IOWQZPBYACJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-9-5-7-10(8-6-9)13(2)11(16)14-12(17)15-13/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4962033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).