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

C14H16N2O3 — CID 583997

IUPAC1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-3-4-9-15-12(17)13(18)16(14(15)19)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLPJIXVOHADJKMW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.09
Rot. Bonds4

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

1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione (PubChem CID 583997) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
PubChem CID583997
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-3-4-9-15-12(17)13(18)16(14(15)19)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLPJIXVOHADJKMW-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.09
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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Related Compounds

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CID 3022015
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CID 122560
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CID 5146782
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CID 11609579
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione (CID 583997) is 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The InChIKey is LPJIXVOHADJKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-4-9-15-12(17)13(18)16(14(15)19)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione has a molecular weight of 260.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methylphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 583997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).