2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one

C18H21N3O — CID 19042949

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one
SMILESCc1cccc2c1cc1n2C(=O)N(C2CN3CCC2CC3)C1
InChIInChI=1S/C18H21N3O/c1-12-3-2-4-16-15(12)9-14-10-20(18(22)21(14)16)17-11-19-7-5-13(17)6-8-19/h2-4,9,13,17H,5-8,10-11H2,1H3
InChIKeyVMDIXUREWLKNSM-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.83
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one

2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one (PubChem CID 19042949) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one
PubChem CID19042949
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one
SMILESCc1cccc2c1cc1n2C(=O)N(C2CN3CCC2CC3)C1
InChIInChI=1S/C18H21N3O/c1-12-3-2-4-16-15(12)9-14-10-20(18(22)21(14)16)17-11-19-7-5-13(17)6-8-19/h2-4,9,13,17H,5-8,10-11H2,1H3
InChIKeyVMDIXUREWLKNSM-UHFFFAOYSA-N
XLogP2.83
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one (CID 19042949) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one is Cc1cccc2c1cc1n2C(=O)N(C2CN3CCC2CC3)C1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one?
The InChIKey is VMDIXUREWLKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-3-2-4-16-15(12)9-14-10-20(18(22)21(14)16)17-11-19-7-5-13(17)6-8-19/h2-4,9,13,17H,5-8,10-11H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one?
2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one is sourced from PubChem (CID 19042949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).