2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate

C15H13BF4N2 — CID 23126920

IUPAC2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(-c2[nH]cc[n+]2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2.BF4/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;2-1(3,4)5/h1-12H;/q;-1/p+1
InChIKeyBFQOMDZOYMNDKJ-UHFFFAOYSA-O
MW308.09 g/mol
LogP4.26
Rot. Bonds2

About 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate

2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate (PubChem CID 23126920) has the molecular formula C15H13BF4N2 and a molecular weight of 308.09 g/mol. Its IUPAC name is 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate.

Molecular Properties

Compound Name2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate
PubChem CID23126920
Molecular FormulaC15H13BF4N2
Molecular Weight308.09 g/mol
Exact Mass308.11
IUPAC Name2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(-c2[nH]cc[n+]2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2.BF4/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;2-1(3,4)5/h1-12H;/q;-1/p+1
InChIKeyBFQOMDZOYMNDKJ-UHFFFAOYSA-O
XLogP4.26
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate?
The IUPAC name of 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate (CID 23126920) is 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate.
What is the SMILES notation for 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate?
The canonical SMILES for 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate is F[B-](F)(F)F.c1ccc(-c2[nH]cc[n+]2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate?
The InChIKey is BFQOMDZOYMNDKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12N2.BF4/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;2-1(3,4)5/h1-12H;/q;-1/p+1.
What are the key properties of 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate?
2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate has a molecular weight of 308.09 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1H-imidazol-3-ium tetrafluoroborate is sourced from PubChem (CID 23126920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).