5-heptyl-5-phenylimidazolidine-2,4-dione

C16H22N2O2 — CID 10659949

IUPAC5-heptyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C16H22N2O2/c1-2-3-4-5-9-12-16(13-10-7-6-8-11-13)14(19)17-15(20)18-16/h6-8,10-11H,2-5,9,12H2,1H3,(H2,17,18,19,20)
InChIKeyUKJJKBMGJSMVEV-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.08
Rot. Bonds7

About 5-heptyl-5-phenylimidazolidine-2,4-dione

5-heptyl-5-phenylimidazolidine-2,4-dione (PubChem CID 10659949) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-heptyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-heptyl-5-phenylimidazolidine-2,4-dione
PubChem CID10659949
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-heptyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C16H22N2O2/c1-2-3-4-5-9-12-16(13-10-7-6-8-11-13)14(19)17-15(20)18-16/h6-8,10-11H,2-5,9,12H2,1H3,(H2,17,18,19,20)
InChIKeyUKJJKBMGJSMVEV-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-heptyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-heptyl-5-phenylimidazolidine-2,4-dione (CID 10659949) is 5-heptyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-heptyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-heptyl-5-phenylimidazolidine-2,4-dione is CCCCCCCC1(c2ccccc2)NC(=O)NC1=O.
What is the InChIKey of 5-heptyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is UKJJKBMGJSMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-4-5-9-12-16(13-10-7-6-8-11-13)14(19)17-15(20)18-16/h6-8,10-11H,2-5,9,12H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-heptyl-5-phenylimidazolidine-2,4-dione?
5-heptyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10659949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).