1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate

C10H18BF4N2- — CID 174521316

IUPAC1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
SMILESC=CCN1C=CN(CCCC)C1.F[B-](F)(F)F
InChIInChI=1S/C10H18N2.BF4/c1-3-5-7-12-9-8-11(10-12)6-4-2;2-1(3,4)5/h4,8-9H,2-3,5-7,10H2,1H3;/q;-1
InChIKeyKKGYZLXZYDXPKD-UHFFFAOYSA-N
MW253.07 g/mol
LogP3.32
Rot. Bonds5

About 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate

1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate (PubChem CID 174521316) has the molecular formula C10H18BF4N2- and a molecular weight of 253.07 g/mol. Its IUPAC name is 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
PubChem CID174521316
Molecular FormulaC10H18BF4N2-
Molecular Weight253.07 g/mol
Exact Mass253.15
IUPAC Name1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
SMILESC=CCN1C=CN(CCCC)C1.F[B-](F)(F)F
InChIInChI=1S/C10H18N2.BF4/c1-3-5-7-12-9-8-11(10-12)6-4-2;2-1(3,4)5/h4,8-9H,2-3,5-7,10H2,1H3;/q;-1
InChIKeyKKGYZLXZYDXPKD-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.07
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide
CID 173111020
1-pentyl-3-prop-2-enyl-2H-imidazole
CID 23154606
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-ethenyl-3-heptyl-2H-imidazole;tetrafluoroborate;hydrochloride
CID 175189511
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
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-octyl-3-undecyl-2H-imidazole
CID 69389433
1-heptyl-3-nonyl-2H-imidazole
CID 69393199

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate?
The IUPAC name of 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate (CID 174521316) is 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate.
What is the SMILES notation for 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate?
The canonical SMILES for 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate is C=CCN1C=CN(CCCC)C1.F[B-](F)(F)F.
What is the InChIKey of 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate?
The InChIKey is KKGYZLXZYDXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.BF4/c1-3-5-7-12-9-8-11(10-12)6-4-2;2-1(3,4)5/h4,8-9H,2-3,5-7,10H2,1H3;/q;-1.
What are the key properties of 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate?
1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate has a molecular weight of 253.07 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate is sourced from PubChem (CID 174521316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).