1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate

C15H18BF4N2- — CID 175420740

IUPAC1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate
SMILESCCCCC(=Cc1ccccc1)n1ccnc1.F[B-](F)(F)F
InChIInChI=1S/C15H18N2.BF4/c1-2-3-9-15(17-11-10-16-13-17)12-14-7-5-4-6-8-14;2-1(3,4)5/h4-8,10-13H,2-3,9H2,1H3;/q;-1
InChIKeyKWTUQNXENQYKCA-UHFFFAOYSA-N
MW313.13 g/mol
LogP5.37
Rot. Bonds5

About 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate

1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate (PubChem CID 175420740) has the molecular formula C15H18BF4N2- and a molecular weight of 313.13 g/mol. Its IUPAC name is 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate.

Molecular Properties

Compound Name1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate
PubChem CID175420740
Molecular FormulaC15H18BF4N2-
Molecular Weight313.13 g/mol
Exact Mass313.15
IUPAC Name1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate
SMILESCCCCC(=Cc1ccccc1)n1ccnc1.F[B-](F)(F)F
InChIInChI=1S/C15H18N2.BF4/c1-2-3-9-15(17-11-10-16-13-17)12-14-7-5-4-6-8-14;2-1(3,4)5/h4-8,10-13H,2-3,9H2,1H3;/q;-1
InChIKeyKWTUQNXENQYKCA-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.13
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole
CID 102130203
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CID 175092281
[(E)-1-phenylhex-1-en-2-yl]benzene
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1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
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CID 19541231
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylidenehexanoic acid
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1-imidazol-1-ylicosane-1,4-dione
CID 59547612
1-imidazol-1-yl-2-tetradecylsulfanylethanone
CID 58641080
1-imidazol-1-yl-3-phenoxypropan-1-one
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CID 72736917

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate?
The IUPAC name of 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate (CID 175420740) is 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate.
What is the SMILES notation for 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate?
The canonical SMILES for 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate is CCCCC(=Cc1ccccc1)n1ccnc1.F[B-](F)(F)F.
What is the InChIKey of 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate?
The InChIKey is KWTUQNXENQYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.BF4/c1-2-3-9-15(17-11-10-16-13-17)12-14-7-5-4-6-8-14;2-1(3,4)5/h4-8,10-13H,2-3,9H2,1H3;/q;-1.
What are the key properties of 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate?
1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate has a molecular weight of 313.13 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylhex-1-en-2-yl)imidazole tetrafluoroborate is sourced from PubChem (CID 175420740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).