1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate

C6H13BF4N2 — CID 22245520

IUPAC1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate
SMILESCC[NH+]1C=CN(C)C1.F[B-](F)(F)F
InChIInChI=1S/C6H12N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-5H,3,6H2,1-2H3;/q;-1/p+1
InChIKeyKMJHNYKKTCHTNE-UHFFFAOYSA-O
MW199.99 g/mol
LogP0.57
Rot. Bonds1

About 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate

1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate (PubChem CID 22245520) has the molecular formula C6H13BF4N2 and a molecular weight of 199.99 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate
PubChem CID22245520
Molecular FormulaC6H13BF4N2
Molecular Weight199.99 g/mol
Exact Mass200.11
IUPAC Name1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate
SMILESCC[NH+]1C=CN(C)C1.F[B-](F)(F)F
InChIInChI=1S/C6H12N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-5H,3,6H2,1-2H3;/q;-1/p+1
InChIKeyKMJHNYKKTCHTNE-UHFFFAOYSA-O
XLogP0.57
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.99
LogP ≤ 50.57
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-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate?
The IUPAC name of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate (CID 22245520) is 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate?
The canonical SMILES for 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate is CC[NH+]1C=CN(C)C1.F[B-](F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate?
The InChIKey is KMJHNYKKTCHTNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-5H,3,6H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate?
1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate has a molecular weight of 199.99 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 22245520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).