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

C23H17ClN2O2 — CID 3490267

IUPAC1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2/c24-18-12-10-17(11-13-18)23-20-9-5-4-8-19(20)22(28)26(23)15-14-25(23)21(27)16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyMIAQHCIVHCUFLF-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.15
Rot. Bonds2

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

1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 3490267) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID3490267
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2/c24-18-12-10-17(11-13-18)23-20-9-5-4-8-19(20)22(28)26(23)15-14-25(23)21(27)16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyMIAQHCIVHCUFLF-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ML375
CID 71598521
9b-phenyl-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 455107
(R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46844314
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
CID 3727447
1-(2-chloroacetyl)-9b-(4-chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3611672
9b-(4-chlorophenyl)-1-(4-methylbenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3724239
9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3724240
1-(4-Fluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 5189681
1-(4-Fluorobenzoyl)-9b-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11165201
1-(4-Fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11200810
9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
CID 11270509
9b-(3-Chlorophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11304327

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 3490267) is 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is MIAQHCIVHCUFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-18-12-10-17(11-13-18)23-20-9-5-4-8-19(20)22(28)26(23)15-14-25(23)21(27)16-6-2-1-3-7-16/h1-13H,14-15H2.
What are the key properties of 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 388.85 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 3490267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).