1-imidazol-1-ylhexadecan-1-one

C19H34N2O — CID 11833739

IUPAC1-imidazol-1-ylhexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)n1ccnc1
InChIInChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-17-16-20-18-21/h16-18H,2-15H2,1H3
InChIKeyKNINOOQLESPROI-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.00
Rot. Bonds14

About 1-imidazol-1-ylhexadecan-1-one

1-imidazol-1-ylhexadecan-1-one (PubChem CID 11833739) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-imidazol-1-ylhexadecan-1-one.

Molecular Properties

Compound Name1-imidazol-1-ylhexadecan-1-one
PubChem CID11833739
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-imidazol-1-ylhexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)n1ccnc1
InChIInChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-17-16-20-18-21/h16-18H,2-15H2,1H3
InChIKeyKNINOOQLESPROI-UHFFFAOYSA-N
XLogP6.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyrylimidazole
CID 643404
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
3-hexadecyl-1-(2-oxopropyl)-1H-imidazol-3-ium bromide
CID 16187389
9-Imidazol-1-ylnonan-2-one;hydrochloride
CID 45263987
1-N-(dodecylaminocarbonyl)imidazole
CID 18328494
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(3-imidazol-1-ylpropyl)amino]-2-oxoethyl]-2-(tridecylamino)acetamide
CID 145986725
Oleoylimidazolide
CID 6444108
1H-Imidazole, 1-(1-oxooctyl)-
CID 545905
1H-Imidazole, 1-(cyclohexylcarbonyl)-
CID 557953
1-Imidazol-1-yl-3-methylbutan-1-one
CID 82111192
1-Imidazol-1-yldocosan-1-one
CID 4363809

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylhexadecan-1-one?
The IUPAC name of 1-imidazol-1-ylhexadecan-1-one (CID 11833739) is 1-imidazol-1-ylhexadecan-1-one.
What is the SMILES notation for 1-imidazol-1-ylhexadecan-1-one?
The canonical SMILES for 1-imidazol-1-ylhexadecan-1-one is CCCCCCCCCCCCCCCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylhexadecan-1-one?
The InChIKey is KNINOOQLESPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-17-16-20-18-21/h16-18H,2-15H2,1H3.
What are the key properties of 1-imidazol-1-ylhexadecan-1-one?
1-imidazol-1-ylhexadecan-1-one has a molecular weight of 306.49 g/mol, XLogP of 6.00, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylhexadecan-1-one is sourced from PubChem (CID 11833739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).