2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate

C7H12BF4N2O- — CID 159541886

IUPAC2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate
SMILESC=CN1C=CN(CCO)C1.F[B-](F)(F)F
InChIInChI=1S/C7H12N2O.BF4/c1-2-8-3-4-9(7-8)5-6-10;2-1(3,4)5/h2-4,10H,1,5-7H2;/q;-1
InChIKeyMEHWUZNGSOFVJR-UHFFFAOYSA-N
MW226.99 g/mol
LogP1.47
Rot. Bonds3

About 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate

2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate (PubChem CID 159541886) has the molecular formula C7H12BF4N2O- and a molecular weight of 226.99 g/mol. Its IUPAC name is 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate.

Molecular Properties

Compound Name2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate
PubChem CID159541886
Molecular FormulaC7H12BF4N2O-
Molecular Weight226.99 g/mol
Exact Mass227.10
IUPAC Name2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate
SMILESC=CN1C=CN(CCO)C1.F[B-](F)(F)F
InChIInChI=1S/C7H12N2O.BF4/c1-2-8-3-4-9(7-8)5-6-10;2-1(3,4)5/h2-4,10H,1,5-7H2;/q;-1
InChIKeyMEHWUZNGSOFVJR-UHFFFAOYSA-N
XLogP1.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.99
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate?
The IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate (CID 159541886) is 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate.
What is the SMILES notation for 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate?
The canonical SMILES for 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate is C=CN1C=CN(CCO)C1.F[B-](F)(F)F.
What is the InChIKey of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate?
The InChIKey is MEHWUZNGSOFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.BF4/c1-2-8-3-4-9(7-8)5-6-10;2-1(3,4)5/h2-4,10H,1,5-7H2;/q;-1.
What are the key properties of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate?
2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate has a molecular weight of 226.99 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate is sourced from PubChem (CID 159541886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).