6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione

C11H10N2O2 — CID 13351733

IUPAC6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione
SMILESO=C1NC(=O)N2CCc3ccccc3C12
InChIInChI=1S/C11H10N2O2/c14-10-9-8-4-2-1-3-7(8)5-6-13(9)11(15)12-10/h1-4,9H,5-6H2,(H,12,14,15)
InChIKeyPJXMCOHISRBBFX-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.84
Rot. Bonds

About 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione

6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione (PubChem CID 13351733) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione
PubChem CID13351733
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione
SMILESO=C1NC(=O)N2CCc3ccccc3C12
InChIInChI=1S/C11H10N2O2/c14-10-9-8-4-2-1-3-7(8)5-6-13(9)11(15)12-10/h1-4,9H,5-6H2,(H,12,14,15)
InChIKeyPJXMCOHISRBBFX-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione 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 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione?
The IUPAC name of 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione (CID 13351733) is 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione.
What is the SMILES notation for 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione?
The canonical SMILES for 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione is O=C1NC(=O)N2CCc3ccccc3C12.
What is the InChIKey of 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione?
The InChIKey is PJXMCOHISRBBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-10-9-8-4-2-1-3-7(8)5-6-13(9)11(15)12-10/h1-4,9H,5-6H2,(H,12,14,15).
What are the key properties of 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione?
6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione has a molecular weight of 202.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10b-dihydro-5H-imidazo[5,1-a]isoquinoline-1,3-dione is sourced from PubChem (CID 13351733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).