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

C16H15BF4N2O — CID 71724285

IUPAC1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate
SMILESCOc1ccc(-[n+]2ccn(-c3ccccc3)c2)cc1.F[B-](F)(F)F
InChIInChI=1S/C16H15N2O.BF4/c1-19-16-9-7-15(8-10-16)18-12-11-17(13-18)14-5-3-2-4-6-14;2-1(3,4)5/h2-13H,1H3;/q+1;-1
InChIKeyDXJKXRPTWFIAMI-UHFFFAOYSA-N
MW338.11 g/mol
LogP4.06
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate (PubChem CID 71724285) has the molecular formula C16H15BF4N2O and a molecular weight of 338.11 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate
PubChem CID71724285
Molecular FormulaC16H15BF4N2O
Molecular Weight338.11 g/mol
Exact Mass338.12
IUPAC Name1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate
SMILESCOc1ccc(-[n+]2ccn(-c3ccccc3)c2)cc1.F[B-](F)(F)F
InChIInChI=1S/C16H15N2O.BF4/c1-19-16-9-7-15(8-10-16)18-12-11-17(13-18)14-5-3-2-4-6-14;2-1(3,4)5/h2-13H,1H3;/q+1;-1
InChIKeyDXJKXRPTWFIAMI-UHFFFAOYSA-N
XLogP4.06
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-3-[3,3,4,4-tetrafluoro-2-(3-phenylimidazol-1-ium-1-yl)cyclobuten-1-yl]imidazol-3-ium ditetrafluoroborate
CID 10077042
1-(4-methoxyphenyl)pyridin-1-ium;dihydrochloride
CID 175485719
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
3-methoxy-1-phenylpyrrole
CID 5324681
potassium;anisole;formaldehyde;hydride;tritetrafluoroborate
CID 175056315
anisole;trifluoroborane
CID 174665057
1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
CID 12925199
1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium
CID 102390739
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
8-methoxy-2-(4-methoxyphenyl)isoquinolin-2-ium
CID 162675255
1-(4-ethyl-2,4-dimethylhexan-2-yl)-3-(4-methoxyphenyl)imidazol-1-ium
CID 123869602

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
The IUPAC name of 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate (CID 71724285) is 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
The canonical SMILES for 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate is COc1ccc(-[n+]2ccn(-c3ccccc3)c2)cc1.F[B-](F)(F)F.
What is the InChIKey of 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
The InChIKey is DXJKXRPTWFIAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O.BF4/c1-19-16-9-7-15(8-10-16)18-12-11-17(13-18)14-5-3-2-4-6-14;2-1(3,4)5/h2-13H,1H3;/q+1;-1.
What are the key properties of 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate?
1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate has a molecular weight of 338.11 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 71724285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).