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

C18H15ClN2O2 — CID 59025869

IUPAC1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12(22)20-10-11-21-17(23)15-4-2-3-5-16(15)18(20,21)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3
InChIKeyOXVQTYXEWWWHAN-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.86
Rot. Bonds1

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

1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025869) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025869
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12(22)20-10-11-21-17(23)15-4-2-3-5-16(15)18(20,21)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3
InChIKeyOXVQTYXEWWWHAN-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025869) is 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is OXVQTYXEWWWHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12(22)20-10-11-21-17(23)15-4-2-3-5-16(15)18(20,21)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 326.78 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).