9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one

C16H20N2O — CID 21494600

IUPAC9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESO=C1C2CCCCC2C2(c3ccccc3)NCCN12
InChIInChI=1S/C16H20N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2
InChIKeyHKLFJACPCWRBHP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.09
Rot. Bonds1

About 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one

9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one (PubChem CID 21494600) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one
PubChem CID21494600
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one
SMILESO=C1C2CCCCC2C2(c3ccccc3)NCCN12
InChIInChI=1S/C16H20N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2
InChIKeyHKLFJACPCWRBHP-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one (CID 21494600) is 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one is O=C1C2CCCCC2C2(c3ccccc3)NCCN12.
What is the InChIKey of 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one?
The InChIKey is HKLFJACPCWRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-3,6-7,13-14,17H,4-5,8-11H2.
What are the key properties of 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one?
9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one has a molecular weight of 256.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-phenyl-2,3,5a,6,7,8,9,9a-octahydro-1H-imidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 21494600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).