2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]

C17H19N3O — CID 56930494

IUPAC2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]
SMILESc1ccc2oc(C3=NCC4(CN5CCC4CC5)N3)cc2c1
InChIInChI=1S/C17H19N3O/c1-2-4-14-12(3-1)9-15(21-14)16-18-10-17(19-16)11-20-7-5-13(17)6-8-20/h1-4,9,13H,5-8,10-11H2,(H,18,19)
InChIKeyVSDWHKURAUFXOY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds1

About 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]

2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane] (PubChem CID 56930494) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane].

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]
PubChem CID56930494
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]
SMILESc1ccc2oc(C3=NCC4(CN5CCC4CC5)N3)cc2c1
InChIInChI=1S/C17H19N3O/c1-2-4-14-12(3-1)9-15(21-14)16-18-10-17(19-16)11-20-7-5-13(17)6-8-20/h1-4,9,13H,5-8,10-11H2,(H,18,19)
InChIKeyVSDWHKURAUFXOY-UHFFFAOYSA-N
XLogP2.25
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]?
The IUPAC name of 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane] (CID 56930494) is 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane].
What is the SMILES notation for 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]?
The canonical SMILES for 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane] is c1ccc2oc(C3=NCC4(CN5CCC4CC5)N3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]?
The InChIKey is VSDWHKURAUFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-4-14-12(3-1)9-15(21-14)16-18-10-17(19-16)11-20-7-5-13(17)6-8-20/h1-4,9,13H,5-8,10-11H2,(H,18,19).
What are the key properties of 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]?
2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane] has a molecular weight of 281.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane] is sourced from PubChem (CID 56930494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).