5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole

C17H19N3 — CID 162230976

IUPAC5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole
SMILESCN1CC2CC(C1)C2C1c2ccccc2-c2cncn21
InChIInChI=1S/C17H19N3/c1-19-8-11-6-12(9-19)16(11)17-14-5-3-2-4-13(14)15-7-18-10-20(15)17/h2-5,7,10-12,16-17H,6,8-9H2,1H3
InChIKeySGOPFIRFSNCSKZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.65
Rot. Bonds1

About 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole

5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 162230976) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID162230976
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole
SMILESCN1CC2CC(C1)C2C1c2ccccc2-c2cncn21
InChIInChI=1S/C17H19N3/c1-19-8-11-6-12(9-19)16(11)17-14-5-3-2-4-13(14)15-7-18-10-20(15)17/h2-5,7,10-12,16-17H,6,8-9H2,1H3
InChIKeySGOPFIRFSNCSKZ-UHFFFAOYSA-N
XLogP2.65
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole with MolForge

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Related Compounds

5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
(3S,4S)-4-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methylpiperidin-3-ol
CID 137405937
(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
CID 137412980
4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
CID 137374425
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
(3S,4S)-3-hydroxy-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidine-1-sulfonamide
CID 129282540
(3S,4S)-3-hydroxy-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidine-1-sulfonamide
CID 129282644
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile
CID 137374490
ethane;5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
CID 145172538

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole (CID 162230976) is 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole is CN1CC2CC(C1)C2C1c2ccccc2-c2cncn21.
What is the InChIKey of 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is SGOPFIRFSNCSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-19-8-11-6-12(9-19)16(11)17-14-5-3-2-4-13(14)15-7-18-10-20(15)17/h2-5,7,10-12,16-17H,6,8-9H2,1H3.
What are the key properties of 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole?
5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 265.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 162230976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).