1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one

C22H44N2O — CID 155068728

IUPAC1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one
SMILESCCCCCCCC(C)CN1CCN(CC(C)CCCCCC)C1=O
InChIInChI=1S/C22H44N2O/c1-5-7-9-11-13-15-21(4)19-24-17-16-23(22(24)25)18-20(3)14-12-10-8-6-2/h20-21H,5-19H2,1-4H3
InChIKeyPFDXVTOFXOXNCA-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.33
Rot. Bonds15

About 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one

1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one (PubChem CID 155068728) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one
PubChem CID155068728
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one
SMILESCCCCCCCC(C)CN1CCN(CC(C)CCCCCC)C1=O
InChIInChI=1S/C22H44N2O/c1-5-7-9-11-13-15-21(4)19-24-17-16-23(22(24)25)18-20(3)14-12-10-8-6-2/h20-21H,5-19H2,1-4H3
InChIKeyPFDXVTOFXOXNCA-UHFFFAOYSA-N
XLogP6.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dioctylimidazolidin-2-one
CID 19987667
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one?
The IUPAC name of 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one (CID 155068728) is 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one is CCCCCCCC(C)CN1CCN(CC(C)CCCCCC)C1=O.
What is the InChIKey of 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one?
The InChIKey is PFDXVTOFXOXNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-5-7-9-11-13-15-21(4)19-24-17-16-23(22(24)25)18-20(3)14-12-10-8-6-2/h20-21H,5-19H2,1-4H3.
What are the key properties of 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one?
1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one has a molecular weight of 352.61 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one is sourced from PubChem (CID 155068728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).