1-methyl-1H-imidazol-1-ium tetrafluoroborate

C4H7BF4N2 — CID 57348726

IUPAC1-methyl-1H-imidazol-1-ium tetrafluoroborate
SMILESC[NH+]1C=CN=C1.F[B-](F)(F)F
InChIInChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKeyULUZIIYGBKXRGN-UHFFFAOYSA-O
MW169.92 g/mol
LogP0.31
Rot. Bonds

About 1-methyl-1H-imidazol-1-ium tetrafluoroborate

1-methyl-1H-imidazol-1-ium tetrafluoroborate (PubChem CID 57348726) has the molecular formula C4H7BF4N2 and a molecular weight of 169.92 g/mol. Its IUPAC name is 1-methyl-1H-imidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-methyl-1H-imidazol-1-ium tetrafluoroborate
PubChem CID57348726
Molecular FormulaC4H7BF4N2
Molecular Weight169.92 g/mol
Exact Mass170.06
IUPAC Name1-methyl-1H-imidazol-1-ium tetrafluoroborate
SMILESC[NH+]1C=CN=C1.F[B-](F)(F)F
InChIInChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKeyULUZIIYGBKXRGN-UHFFFAOYSA-O
XLogP0.31
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.92
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The IUPAC name of 1-methyl-1H-imidazol-1-ium tetrafluoroborate (CID 57348726) is 1-methyl-1H-imidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The canonical SMILES for 1-methyl-1H-imidazol-1-ium tetrafluoroborate is C[NH+]1C=CN=C1.F[B-](F)(F)F.
What is the InChIKey of 1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The InChIKey is ULUZIIYGBKXRGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1.
What are the key properties of 1-methyl-1H-imidazol-1-ium tetrafluoroborate?
1-methyl-1H-imidazol-1-ium tetrafluoroborate has a molecular weight of 169.92 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-imidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 57348726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).