9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C22H15Cl2N3O2 — CID 59025925

IUPAC9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2N3O2/c23-15-10-8-14(9-11-15)22-17-5-2-1-4-16(17)20(28)26(22)12-13-27(22)21(29)18-6-3-7-19(24)25-18/h1-11H,12-13H2
InChIKeyNZYPCLMJJXJKPY-UHFFFAOYSA-N
MW424.29 g/mol
LogP4.20
Rot. Bonds2

About 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025925) has the molecular formula C22H15Cl2N3O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025925
Molecular FormulaC22H15Cl2N3O2
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2N3O2/c23-15-10-8-14(9-11-15)22-17-5-2-1-4-16(17)20(28)26(22)12-13-27(22)21(29)18-6-3-7-19(24)25-18/h1-11H,12-13H2
InChIKeyNZYPCLMJJXJKPY-UHFFFAOYSA-N
XLogP4.20
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[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-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025925) is 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is NZYPCLMJJXJKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2/c23-15-10-8-14(9-11-15)22-17-5-2-1-4-16(17)20(28)26(22)12-13-27(22)21(29)18-6-3-7-19(24)25-18/h1-11H,12-13H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 424.29 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).