1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate

C8H19BF4N2O4P- — CID 175710160

IUPAC1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
SMILESCCCCN1C=CN(C)C1.F[B-](F)(F)F.O=P(O)(O)O
InChIInChI=1S/C8H16N2.BF4.H3O4P/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;;(H3,1,2,3,4)/q;-1;
InChIKeyQZJBBXXYFQTGSS-UHFFFAOYSA-N
MW325.03 g/mol
LogP1.83
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate

1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate (PubChem CID 175710160) has the molecular formula C8H19BF4N2O4P- and a molecular weight of 325.03 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
PubChem CID175710160
Molecular FormulaC8H19BF4N2O4P-
Molecular Weight325.03 g/mol
Exact Mass325.11
IUPAC Name1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
SMILESCCCCN1C=CN(C)C1.F[B-](F)(F)F.O=P(O)(O)O
InChIInChI=1S/C8H16N2.BF4.H3O4P/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;;(H3,1,2,3,4)/q;-1;
InChIKeyQZJBBXXYFQTGSS-UHFFFAOYSA-N
XLogP1.83
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
CID 175550645
CID 175550645
trisodium;1-butyl-3-methyl-2H-imidazole;phosphate
CID 174105917
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate
CID 174488008
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate (CID 175710160) is 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate is CCCCN1C=CN(C)C1.F[B-](F)(F)F.O=P(O)(O)O.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate?
The InChIKey is QZJBBXXYFQTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.BF4.H3O4P/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;;(H3,1,2,3,4)/q;-1;.
What are the key properties of 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate?
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate has a molecular weight of 325.03 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate is sourced from PubChem (CID 175710160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).