1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate

C13H20BF4N2- — CID 175221269

IUPAC1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate
SMILESC1=NCCN1C12CC3CC(CC(C3)C1)C2.F[B-](F)(F)F
InChIInChI=1S/C13H20N2.BF4/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13;2-1(3,4)5/h9-12H,1-8H2;/q;-1
InChIKeyFVVSUVGCKBAOJX-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.60
Rot. Bonds1

About 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate

1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate (PubChem CID 175221269) has the molecular formula C13H20BF4N2- and a molecular weight of 291.12 g/mol. Its IUPAC name is 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate.

Molecular Properties

Compound Name1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate
PubChem CID175221269
Molecular FormulaC13H20BF4N2-
Molecular Weight291.12 g/mol
Exact Mass291.17
IUPAC Name1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate
SMILESC1=NCCN1C12CC3CC(CC(C3)C1)C2.F[B-](F)(F)F
InChIInChI=1S/C13H20N2.BF4/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13;2-1(3,4)5/h9-12H,1-8H2;/q;-1
InChIKeyFVVSUVGCKBAOJX-UHFFFAOYSA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.60
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-(1-adamantyl)-4,5-dihydroimidazol-2-olate
CID 155607991
1,3-bis(1-adamantyl)-4,5-dichloroimidazol-1-ium tetrafluoroborate
CID 89157871
1,3-bis(1-adamantyl)imidazolidine;hydrochloride
CID 131637532
1-(1-adamantyl)imidazole;hydroiodide
CID 175044894
1,2-bis(1-adamantyl)imidazolidine
CID 66808688
1-(1-adamantyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 68613412
3-(1-adamantyl)-3-aza-1-azoniabicyclo[3.3.1]non-1-ene
CID 102224659
1-(1-adamantyl)-4-methylpyrazole
CID 142764574
4-[3-(1-adamantyl)imidazol-4-yl]piperidine
CID 114702688
4-[3-[3-(1,2,4-triazol-4-yl)-1-adamantyl]-1-adamantyl]-1,2,4-triazole
CID 91440020
magnesium;1-bromo-4,5-dihydroimidazole;hydride
CID 173465260
1-(1-adamantyl)tetrazol-5-amine
CID 23008813

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate?
The IUPAC name of 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate (CID 175221269) is 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate.
What is the SMILES notation for 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate?
The canonical SMILES for 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate is C1=NCCN1C12CC3CC(CC(C3)C1)C2.F[B-](F)(F)F.
What is the InChIKey of 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate?
The InChIKey is FVVSUVGCKBAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.BF4/c1-2-15(9-14-1)13-6-10-3-11(7-13)5-12(4-10)8-13;2-1(3,4)5/h9-12H,1-8H2;/q;-1.
What are the key properties of 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate?
1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate has a molecular weight of 291.12 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4,5-dihydroimidazole tetrafluoroborate is sourced from PubChem (CID 175221269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).