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

C19H17ClN2O2 — CID 11416547

IUPAC9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-2-17(23)21-11-12-22-18(24)15-5-3-4-6-16(15)19(21,22)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3
InChIKeyYWFYBKQZJAGFHV-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.25
Rot. Bonds2

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

9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 11416547) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID11416547
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-2-17(23)21-11-12-22-18(24)15-5-3-4-6-16(15)19(21,22)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3
InChIKeyYWFYBKQZJAGFHV-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 11416547) is 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is YWFYBKQZJAGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-2-17(23)21-11-12-22-18(24)15-5-3-4-6-16(15)19(21,22)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3.
What are the key properties of 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 340.81 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 11416547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).