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

C18H14Cl2N2O2 — CID 3611672

IUPAC1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CCl)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2
InChIKeyKAAXKGCLBNYJEE-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.08
Rot. Bonds2

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

1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 3611672) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID3611672
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CCl)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2
InChIKeyKAAXKGCLBNYJEE-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 3611672) is 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(CCl)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is KAAXKGCLBNYJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-11-16(23)21-9-10-22-17(24)14-3-1-2-4-15(14)18(21,22)12-5-7-13(20)8-6-12/h1-8H,9-11H2.
What are the key properties of 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 361.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroacetyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 3611672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).