1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride

C12H23BClF4N2- — CID 175189511

IUPAC1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
SMILESC=CN1C=CN(CCCCCCC)C1.Cl.F[B-](F)(F)F
InChIInChI=1S/C12H22N2.BF4.ClH/c1-3-5-6-7-8-9-14-11-10-13(4-2)12-14;2-1(3,4)5;/h4,10-11H,2-3,5-9,12H2,1H3;;1H/q;-1;
InChIKeyWYXKQHUUINXKDD-UHFFFAOYSA-N
MW317.59 g/mol
LogP4.87
Rot. Bonds7

About 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride

1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride (PubChem CID 175189511) has the molecular formula C12H23BClF4N2- and a molecular weight of 317.59 g/mol. Its IUPAC name is 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride.

Molecular Properties

Compound Name1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
PubChem CID175189511
Molecular FormulaC12H23BClF4N2-
Molecular Weight317.59 g/mol
Exact Mass317.16
IUPAC Name1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
SMILESC=CN1C=CN(CCCCCCC)C1.Cl.F[B-](F)(F)F
InChIInChI=1S/C12H22N2.BF4.ClH/c1-3-5-6-7-8-9-14-11-10-13(4-2)12-14;2-1(3,4)5;/h4,10-11H,2-3,5-9,12H2,1H3;;1H/q;-1;
InChIKeyWYXKQHUUINXKDD-UHFFFAOYSA-N
XLogP4.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.59
LogP ≤ 54.87
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-ethenyl-3-pentyl-2H-imidazole
CID 69347119
1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
CID 175052158
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-butyl-3-ethenyl-2H-imidazole;prop-2-enamide;hydrobromide
CID 175485148
3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
CID 174058071
2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate
CID 159541886
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride?
The IUPAC name of 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride (CID 175189511) is 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride.
What is the SMILES notation for 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride?
The canonical SMILES for 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride is C=CN1C=CN(CCCCCCC)C1.Cl.F[B-](F)(F)F.
What is the InChIKey of 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride?
The InChIKey is WYXKQHUUINXKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.BF4.ClH/c1-3-5-6-7-8-9-14-11-10-13(4-2)12-14;2-1(3,4)5;/h4,10-11H,2-3,5-9,12H2,1H3;;1H/q;-1;.
What are the key properties of 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride?
1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride has a molecular weight of 317.59 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride is sourced from PubChem (CID 175189511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).