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

C24H20ClN3O2 — CID 157295179

IUPAC9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CCc1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O2/c25-18-10-8-17(9-11-18)24-21-7-2-1-6-20(21)23(30)28(24)16-15-27(24)22(29)13-12-19-5-3-4-14-26-19/h1-11,14H,12-13,15-16H2
InChIKeyNPHNTRWQZGZZLJ-UHFFFAOYSA-N
MW417.90 g/mol
LogP3.87
Rot. Bonds4

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

9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 157295179) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID157295179
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(CCc1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O2/c25-18-10-8-17(9-11-18)24-21-7-2-1-6-20(21)23(30)28(24)16-15-27(24)22(29)13-12-19-5-3-4-14-26-19/h1-11,14H,12-13,15-16H2
InChIKeyNPHNTRWQZGZZLJ-UHFFFAOYSA-N
XLogP3.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 157295179) is 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(CCc1ccccn1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is NPHNTRWQZGZZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-18-10-8-17(9-11-18)24-21-7-2-1-6-20(21)23(30)28(24)16-15-27(24)22(29)13-12-19-5-3-4-14-26-19/h1-11,14H,12-13,15-16H2.
What are the key properties of 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 417.90 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-chlorophenyl)-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 157295179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).