2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate

C8H15BF4N2 — CID 87653770

IUPAC2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCC[NH+]1C=C(C)N=C1C.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-4-5-10-6-7(2)9-8(10)3;2-1(3,4)5/h6H,4-5H2,1-3H3;/q;-1/p+1
InChIKeyVUHQBENYMGNVPB-UHFFFAOYSA-O
MW226.03 g/mol
LogP1.87
Rot. Bonds2

About 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate

2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate (PubChem CID 87653770) has the molecular formula C8H15BF4N2 and a molecular weight of 226.03 g/mol. Its IUPAC name is 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
PubChem CID87653770
Molecular FormulaC8H15BF4N2
Molecular Weight226.03 g/mol
Exact Mass226.13
IUPAC Name2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCC[NH+]1C=C(C)N=C1C.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-4-5-10-6-7(2)9-8(10)3;2-1(3,4)5/h6H,4-5H2,1-3H3;/q;-1/p+1
InChIKeyVUHQBENYMGNVPB-UHFFFAOYSA-O
XLogP1.87
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethyl-1H-imidazol-1-ium tetrafluoroborate
CID 23023246
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-butyl-5-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 87578070
4-ethyl-1,2-dimethyl-1H-imidazol-1-ium tetrafluoroborate
CID 87687408
1-butyl-2-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 140436553
1-ethyl-4-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 140475663
2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
CID 140673871
2,4-dimethyl-1-propyl-1H-imidazol-1-ium
CID 152750235
1-ethyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154083686
1-butyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154222841
1,2,4-trimethyl-1H-imidazol-1-ium tetrafluoroborate
CID 174050396

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
The IUPAC name of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate (CID 87653770) is 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
The canonical SMILES for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate is CCC[NH+]1C=C(C)N=C1C.F[B-](F)(F)F.
What is the InChIKey of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
The InChIKey is VUHQBENYMGNVPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2.BF4/c1-4-5-10-6-7(2)9-8(10)3;2-1(3,4)5/h6H,4-5H2,1-3H3;/q;-1/p+1.
What are the key properties of 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate?
2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate has a molecular weight of 226.03 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 87653770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).