5-benzyl-3-hexyl-2-methylimidazolidin-4-one

C17H26N2O — CID 83263610

IUPAC5-benzyl-3-hexyl-2-methylimidazolidin-4-one
SMILESCCCCCCN1C(=O)C(Cc2ccccc2)NC1C
InChIInChI=1S/C17H26N2O/c1-3-4-5-9-12-19-14(2)18-16(17(19)20)13-15-10-7-6-8-11-15/h6-8,10-11,14,16,18H,3-5,9,12-13H2,1-2H3
InChIKeyGWLDRXCOBLDJOL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds7

About 5-benzyl-3-hexyl-2-methylimidazolidin-4-one

5-benzyl-3-hexyl-2-methylimidazolidin-4-one (PubChem CID 83263610) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-benzyl-3-hexyl-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-hexyl-2-methylimidazolidin-4-one
PubChem CID83263610
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-benzyl-3-hexyl-2-methylimidazolidin-4-one
SMILESCCCCCCN1C(=O)C(Cc2ccccc2)NC1C
InChIInChI=1S/C17H26N2O/c1-3-4-5-9-12-19-14(2)18-16(17(19)20)13-15-10-7-6-8-11-15/h6-8,10-11,14,16,18H,3-5,9,12-13H2,1-2H3
InChIKeyGWLDRXCOBLDJOL-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114926561
5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
CID 83270412
5-ethyl-2-methyl-3-pentylimidazolidin-4-one
CID 83251398
5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
CID 83253722
5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253136
3-benzyl-1-pentyl-1,4-diazepane-2,5-dione
CID 64881775
5-benzyl-2-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83243023
5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83232217
5-benzyl-3-(2-cyclopropylethyl)-2-propylimidazolidin-4-one
CID 83268843
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-hexyl-2-methylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-hexyl-2-methylimidazolidin-4-one (CID 83263610) is 5-benzyl-3-hexyl-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-hexyl-2-methylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-hexyl-2-methylimidazolidin-4-one is CCCCCCN1C(=O)C(Cc2ccccc2)NC1C.
What is the InChIKey of 5-benzyl-3-hexyl-2-methylimidazolidin-4-one?
The InChIKey is GWLDRXCOBLDJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-5-9-12-19-14(2)18-16(17(19)20)13-15-10-7-6-8-11-15/h6-8,10-11,14,16,18H,3-5,9,12-13H2,1-2H3.
What are the key properties of 5-benzyl-3-hexyl-2-methylimidazolidin-4-one?
5-benzyl-3-hexyl-2-methylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-hexyl-2-methylimidazolidin-4-one is sourced from PubChem (CID 83263610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).