1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate

C15H12BBrF4N2 — CID 71724435

IUPAC1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate
SMILESBrc1ccc(-[n+]2ccn(-c3ccccc3)c2)cc1.F[B-](F)(F)F
InChIInChI=1S/C15H12BrN2.BF4/c16-13-6-8-15(9-7-13)18-11-10-17(12-18)14-4-2-1-3-5-14;2-1(3,4)5/h1-12H;/q+1;-1
InChIKeyLFNCMPDBCAIXJS-UHFFFAOYSA-N
MW386.98 g/mol
LogP4.82
Rot. Bonds2

About 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate

1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate (PubChem CID 71724435) has the molecular formula C15H12BBrF4N2 and a molecular weight of 386.98 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate
PubChem CID71724435
Molecular FormulaC15H12BBrF4N2
Molecular Weight386.98 g/mol
Exact Mass386.02
IUPAC Name1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate
SMILESBrc1ccc(-[n+]2ccn(-c3ccccc3)c2)cc1.F[B-](F)(F)F
InChIInChI=1S/C15H12BrN2.BF4/c16-13-6-8-15(9-7-13)18-11-10-17(12-18)14-4-2-1-3-5-14;2-1(3,4)5/h1-12H;/q+1;-1
InChIKeyLFNCMPDBCAIXJS-UHFFFAOYSA-N
XLogP4.82
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.98
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylimidazole
CID 81595
1-(4-Fluorophenyl)imidazole
CID 140833
1-(3-Fluorophenyl)imidazole
CID 2737472
1-(4-Bromophenyl)imidazole
CID 2735604
1-(4-Bromophenyl)-4-phenylimidazole
CID 3248065
1-(4-Bromophenyl)-4-nitro-imidazole
CID 3003611
1-(3-bromophenyl)-1H-imidazole
CID 312096
1-(2,3,5,6-Tetrafluorophenyl)imidazole
CID 688180
1-Phenyl-1H-imidazol-2-amine
CID 13805405
2-bromo-1-phenyl-1H-imidazole
CID 45594301
1-(4-Bromophenyl)-4-methyl-1H-imidazole
CID 53415672
(3-(1H-Imidazol-1-yl)propyl)-3-(4-bromophenyl)-2-cyanoguanidine
CID 24858983

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
The IUPAC name of 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate (CID 71724435) is 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
The canonical SMILES for 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate is Brc1ccc(-[n+]2ccn(-c3ccccc3)c2)cc1.F[B-](F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
The InChIKey is LFNCMPDBCAIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN2.BF4/c16-13-6-8-15(9-7-13)18-11-10-17(12-18)14-4-2-1-3-5-14;2-1(3,4)5/h1-12H;/q+1;-1.
What are the key properties of 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate has a molecular weight of 386.98 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 71724435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).