1-(4-phenylbutyl)imidazolidine-2,4,5-trione

C13H14N2O3 — CID 10634153

IUPAC1-(4-phenylbutyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCCCc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c16-11-12(17)15(13(18)14-11)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,16,18)
InChIKeyVQYXCLHFJOFBQK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.09
Rot. Bonds5

About 1-(4-phenylbutyl)imidazolidine-2,4,5-trione

1-(4-phenylbutyl)imidazolidine-2,4,5-trione (PubChem CID 10634153) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(4-phenylbutyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-phenylbutyl)imidazolidine-2,4,5-trione
PubChem CID10634153
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-(4-phenylbutyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCCCc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c16-11-12(17)15(13(18)14-11)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,16,18)
InChIKeyVQYXCLHFJOFBQK-UHFFFAOYSA-N
XLogP1.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione
CID 69498256
4-phenylbutylbenzene
CID 141301927
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 171374663
CID 171374663
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192
1-(2-hydroxyethyl)imidazolidine-2,4,5-trione
CID 45088579
2-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 114333958
CID 70602235
CID 70602235

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-phenylbutyl)imidazolidine-2,4,5-trione (CID 10634153) is 1-(4-phenylbutyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-phenylbutyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-phenylbutyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(CCCCc2ccccc2)C1=O.
What is the InChIKey of 1-(4-phenylbutyl)imidazolidine-2,4,5-trione?
The InChIKey is VQYXCLHFJOFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-12(17)15(13(18)14-11)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,16,18).
What are the key properties of 1-(4-phenylbutyl)imidazolidine-2,4,5-trione?
1-(4-phenylbutyl)imidazolidine-2,4,5-trione has a molecular weight of 246.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 10634153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).