1,3-dicyclohexyl-2H-imidazole tetrafluoroborate

C15H26BF4N2- — CID 174863635

IUPAC1,3-dicyclohexyl-2H-imidazole tetrafluoroborate
SMILESC1=CN(C2CCCCC2)CN1C1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C15H26N2.BF4/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2-1(3,4)5/h11-12,14-15H,1-10,13H2;/q;-1
InChIKeyNOIPFASZMADFRS-UHFFFAOYSA-N
MW321.19 g/mol
LogP5.00
Rot. Bonds2

About 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate

1,3-dicyclohexyl-2H-imidazole tetrafluoroborate (PubChem CID 174863635) has the molecular formula C15H26BF4N2- and a molecular weight of 321.19 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate.

Molecular Properties

Compound Name1,3-dicyclohexyl-2H-imidazole tetrafluoroborate
PubChem CID174863635
Molecular FormulaC15H26BF4N2-
Molecular Weight321.19 g/mol
Exact Mass321.21
IUPAC Name1,3-dicyclohexyl-2H-imidazole tetrafluoroborate
SMILESC1=CN(C2CCCCC2)CN1C1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C15H26N2.BF4/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2-1(3,4)5/h11-12,14-15H,1-10,13H2;/q;-1
InChIKeyNOIPFASZMADFRS-UHFFFAOYSA-N
XLogP5.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate?
The IUPAC name of 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate (CID 174863635) is 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate.
What is the SMILES notation for 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate?
The canonical SMILES for 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate is C1=CN(C2CCCCC2)CN1C1CCCCC1.F[B-](F)(F)F.
What is the InChIKey of 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate?
The InChIKey is NOIPFASZMADFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.BF4/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2-1(3,4)5/h11-12,14-15H,1-10,13H2;/q;-1.
What are the key properties of 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate?
1,3-dicyclohexyl-2H-imidazole tetrafluoroborate has a molecular weight of 321.19 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2H-imidazole tetrafluoroborate is sourced from PubChem (CID 174863635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).