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

C17H14N2O3 — CID 56688100

IUPAC1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-12-7-9-14(10-8-12)19-16(21)15(20)18(17(19)22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyHYBWDVSLCIMSLZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.49
Rot. Bonds3

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

1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione (PubChem CID 56688100) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
PubChem CID56688100
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-12-7-9-14(10-8-12)19-16(21)15(20)18(17(19)22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyHYBWDVSLCIMSLZ-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.49
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-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione (CID 56688100) is 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione is Cc1ccc(N2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The InChIKey is HYBWDVSLCIMSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-7-9-14(10-8-12)19-16(21)15(20)18(17(19)22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione has a molecular weight of 294.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 56688100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).