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

C19H17ClN2O3 — CID 59025950

IUPAC9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c1-25-12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19(21,22)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3
InChIKeyJIIFXIYYHVAAJI-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.49
Rot. Bonds3

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

9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025950) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025950
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCOCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c1-25-12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19(21,22)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3
InChIKeyJIIFXIYYHVAAJI-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-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-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025950) is 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is COCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is JIIFXIYYHVAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19(21,22)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3.
What are the key properties of 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 356.81 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).