3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane

C18H19N3OS — CID 69272535

IUPAC3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESc1cc(-c2ccc(-c3cncn3C3CN4CCC3CC4)s2)co1
InChIInChI=1S/C18H19N3OS/c1-2-18(23-17(1)14-5-8-22-11-14)15-9-19-12-21(15)16-10-20-6-3-13(16)4-7-20/h1-2,5,8-9,11-13,16H,3-4,6-7,10H2
InChIKeyQFFYQMVTVWBHGR-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.14
Rot. Bonds3

About 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane

3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane (PubChem CID 69272535) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane
PubChem CID69272535
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESc1cc(-c2ccc(-c3cncn3C3CN4CCC3CC4)s2)co1
InChIInChI=1S/C18H19N3OS/c1-2-18(23-17(1)14-5-8-22-11-14)15-9-19-12-21(15)16-10-20-6-3-13(16)4-7-20/h1-2,5,8-9,11-13,16H,3-4,6-7,10H2
InChIKeyQFFYQMVTVWBHGR-UHFFFAOYSA-N
XLogP4.14
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane (CID 69272535) is 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane is c1cc(-c2ccc(-c3cncn3C3CN4CCC3CC4)s2)co1.
What is the InChIKey of 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane?
The InChIKey is QFFYQMVTVWBHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-18(23-17(1)14-5-8-22-11-14)15-9-19-12-21(15)16-10-20-6-3-13(16)4-7-20/h1-2,5,8-9,11-13,16H,3-4,6-7,10H2.
What are the key properties of 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane?
3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane has a molecular weight of 325.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(furan-3-yl)thiophen-2-yl]imidazol-1-yl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 69272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).