5-octyl-5-pentylimidazolidine-2,4-dione

C16H30N2O2 — CID 21324142

IUPAC5-octyl-5-pentylimidazolidine-2,4-dione
SMILESCCCCCCCCC1(CCCCC)NC(=O)NC1=O
InChIInChI=1S/C16H30N2O2/c1-3-5-7-8-9-11-13-16(12-10-6-4-2)14(19)17-15(20)18-16/h3-13H2,1-2H3,(H2,17,18,19,20)
InChIKeyGQCJRRFWRJZWLU-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.90
Rot. Bonds11

About 5-octyl-5-pentylimidazolidine-2,4-dione

5-octyl-5-pentylimidazolidine-2,4-dione (PubChem CID 21324142) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-octyl-5-pentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-octyl-5-pentylimidazolidine-2,4-dione
PubChem CID21324142
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name5-octyl-5-pentylimidazolidine-2,4-dione
SMILESCCCCCCCCC1(CCCCC)NC(=O)NC1=O
InChIInChI=1S/C16H30N2O2/c1-3-5-7-8-9-11-13-16(12-10-6-4-2)14(19)17-15(20)18-16/h3-13H2,1-2H3,(H2,17,18,19,20)
InChIKeyGQCJRRFWRJZWLU-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.90
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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Related Compounds

5-hexyl-5-hydroxyimidazolidine-2,4-dione
CID 70494032
5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione
CID 21416278
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
5-benzyl-5-butylimidazolidine-2,4-dione
CID 174713775
3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
CID 139791197
1,3-dioxolan-2-one;heptane
CID 174901470
5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 58437036
9,9-didodecyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 122386122
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
CID 82997958
ethyl 3-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 142170729

Frequently Asked Questions

What is the IUPAC name of 5-octyl-5-pentylimidazolidine-2,4-dione?
The IUPAC name of 5-octyl-5-pentylimidazolidine-2,4-dione (CID 21324142) is 5-octyl-5-pentylimidazolidine-2,4-dione.
What is the SMILES notation for 5-octyl-5-pentylimidazolidine-2,4-dione?
The canonical SMILES for 5-octyl-5-pentylimidazolidine-2,4-dione is CCCCCCCCC1(CCCCC)NC(=O)NC1=O.
What is the InChIKey of 5-octyl-5-pentylimidazolidine-2,4-dione?
The InChIKey is GQCJRRFWRJZWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-7-8-9-11-13-16(12-10-6-4-2)14(19)17-15(20)18-16/h3-13H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-octyl-5-pentylimidazolidine-2,4-dione?
5-octyl-5-pentylimidazolidine-2,4-dione has a molecular weight of 282.43 g/mol, XLogP of 3.90, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-5-pentylimidazolidine-2,4-dione is sourced from PubChem (CID 21324142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).