1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate

C21H42BF4N2- — CID 174775383

IUPAC1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
SMILESCCCCCCCCCCCCCCCCN1C=CN(C)C1C.F[B-](F)(F)F
InChIInChI=1S/C21H42N2.BF4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(3)21(23)2;2-1(3,4)5/h19-21H,4-18H2,1-3H3;/q;-1
InChIKeyKHZBYCLYLYRILO-UHFFFAOYSA-N
MW409.39 g/mol
LogP7.83
Rot. Bonds15

About 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate

1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate (PubChem CID 174775383) has the molecular formula C21H42BF4N2- and a molecular weight of 409.39 g/mol. Its IUPAC name is 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate.

Molecular Properties

Compound Name1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
PubChem CID174775383
Molecular FormulaC21H42BF4N2-
Molecular Weight409.39 g/mol
Exact Mass409.34
IUPAC Name1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
SMILESCCCCCCCCCCCCCCCCN1C=CN(C)C1C.F[B-](F)(F)F
InChIInChI=1S/C21H42N2.BF4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(3)21(23)2;2-1(3,4)5/h19-21H,4-18H2,1-3H3;/q;-1
InChIKeyKHZBYCLYLYRILO-UHFFFAOYSA-N
XLogP7.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.39
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702
1,2-dimethyl-3-undecyl-2H-imidazole
CID 69386948
1,2-dimethyl-3-pentadecyl-2H-imidazole
CID 69388793
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
CID 175868504

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate?
The IUPAC name of 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate (CID 174775383) is 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate.
What is the SMILES notation for 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate?
The canonical SMILES for 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate is CCCCCCCCCCCCCCCCN1C=CN(C)C1C.F[B-](F)(F)F.
What is the InChIKey of 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate?
The InChIKey is KHZBYCLYLYRILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2.BF4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(3)21(23)2;2-1(3,4)5/h19-21H,4-18H2,1-3H3;/q;-1.
What are the key properties of 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate?
1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate has a molecular weight of 409.39 g/mol, XLogP of 7.83, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate is sourced from PubChem (CID 174775383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).