1-(16-fluorohexadecyl)-2-methylimidazole

C20H37FN2 — CID 164834559

IUPAC1-(16-fluorohexadecyl)-2-methylimidazole
SMILESCc1nccn1CCCCCCCCCCCCCCCCF
InChIInChI=1S/C20H37FN2/c1-20-22-17-19-23(20)18-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21/h17,19H,2-16,18H2,1H3
InChIKeyLHPKAPPXBDCWBF-UHFFFAOYSA-N
MW324.53 g/mol
LogP6.62
Rot. Bonds16

About 1-(16-fluorohexadecyl)-2-methylimidazole

1-(16-fluorohexadecyl)-2-methylimidazole (PubChem CID 164834559) has the molecular formula C20H37FN2 and a molecular weight of 324.53 g/mol. Its IUPAC name is 1-(16-fluorohexadecyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(16-fluorohexadecyl)-2-methylimidazole
PubChem CID164834559
Molecular FormulaC20H37FN2
Molecular Weight324.53 g/mol
Exact Mass324.29
IUPAC Name1-(16-fluorohexadecyl)-2-methylimidazole
SMILESCc1nccn1CCCCCCCCCCCCCCCCF
InChIInChI=1S/C20H37FN2/c1-20-22-17-19-23(20)18-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21/h17,19H,2-16,18H2,1H3
InChIKeyLHPKAPPXBDCWBF-UHFFFAOYSA-N
XLogP6.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-1-octadec-9-enylimidazole
CID 54514402
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273

Frequently Asked Questions

What is the IUPAC name of 1-(16-fluorohexadecyl)-2-methylimidazole?
The IUPAC name of 1-(16-fluorohexadecyl)-2-methylimidazole (CID 164834559) is 1-(16-fluorohexadecyl)-2-methylimidazole.
What is the SMILES notation for 1-(16-fluorohexadecyl)-2-methylimidazole?
The canonical SMILES for 1-(16-fluorohexadecyl)-2-methylimidazole is Cc1nccn1CCCCCCCCCCCCCCCCF.
What is the InChIKey of 1-(16-fluorohexadecyl)-2-methylimidazole?
The InChIKey is LHPKAPPXBDCWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN2/c1-20-22-17-19-23(20)18-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21/h17,19H,2-16,18H2,1H3.
What are the key properties of 1-(16-fluorohexadecyl)-2-methylimidazole?
1-(16-fluorohexadecyl)-2-methylimidazole has a molecular weight of 324.53 g/mol, XLogP of 6.62, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-fluorohexadecyl)-2-methylimidazole is sourced from PubChem (CID 164834559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).