4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one

C24H46N2O2 — CID 167640123

IUPAC4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
SMILESCC(C)CCCCCCCCCCCC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C24H46N2O2/c1-20(2)16-12-9-7-5-4-6-8-10-13-17-22(27)18-14-11-15-19-23-21(3)25-24(28)26-23/h20-21,23H,4-19H2,1-3H3,(H2,25,26,28)
InChIKeyPBAUREYPGHULLG-UHFFFAOYSA-N
MW394.64 g/mol
LogP6.52
Rot. Bonds18

About 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one

4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one (PubChem CID 167640123) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
PubChem CID167640123
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
SMILESCC(C)CCCCCCCCCCCC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C24H46N2O2/c1-20(2)16-12-9-7-5-4-6-8-10-13-17-22(27)18-14-11-15-19-23-21(3)25-24(28)26-23/h20-21,23H,4-19H2,1-3H3,(H2,25,26,28)
InChIKeyPBAUREYPGHULLG-UHFFFAOYSA-N
XLogP6.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
CID 73212702
CID 73212702
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
2,16-dimethylheptadecan-6-one
CID 158111781
N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 7344299
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
35-methylhexatriacontan-18-one
CID 154265958
14-methylpentadecane-2,8-dione
CID 159096890
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 91759535
4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one
CID 144683231

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one?
The IUPAC name of 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one (CID 167640123) is 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one.
What is the SMILES notation for 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one?
The canonical SMILES for 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one is CC(C)CCCCCCCCCCCC(=O)CCCCCC1NC(=O)NC1C.
What is the InChIKey of 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one?
The InChIKey is PBAUREYPGHULLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-20(2)16-12-9-7-5-4-6-8-10-13-17-22(27)18-14-11-15-19-23-21(3)25-24(28)26-23/h20-21,23H,4-19H2,1-3H3,(H2,25,26,28).
What are the key properties of 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one?
4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one has a molecular weight of 394.64 g/mol, XLogP of 6.52, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one is sourced from PubChem (CID 167640123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).