1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione

C11H10N2O3 — CID 583979

IUPAC1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C11H10N2O3/c1-7-3-5-8(6-4-7)13-10(15)9(14)12(2)11(13)16/h3-6H,1-2H3
InChIKeySBENRRSOTCQNHQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.92
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione

1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione (PubChem CID 583979) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
PubChem CID583979
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C11H10N2O3/c1-7-3-5-8(6-4-7)13-10(15)9(14)12(2)11(13)16/h3-6H,1-2H3
InChIKeySBENRRSOTCQNHQ-UHFFFAOYSA-N
XLogP0.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione (CID 583979) is 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione is Cc1ccc(N2C(=O)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The InChIKey is SBENRRSOTCQNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-3-5-8(6-4-7)13-10(15)9(14)12(2)11(13)16/h3-6H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione has a molecular weight of 218.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).