N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide

C24H20ClN3O2 — CID 59025708

IUPACN-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O2/c25-19-12-10-18(11-13-19)24-21-9-5-4-8-20(21)22(29)27(24)14-15-28(24)23(30)26-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,30)
InChIKeyAZCCTENOQRXVIN-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.22
Rot. Bonds3

About N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide

N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (PubChem CID 59025708) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
PubChem CID59025708
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O2/c25-19-12-10-18(11-13-19)24-21-9-5-4-8-20(21)22(29)27(24)14-15-28(24)23(30)26-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,30)
InChIKeyAZCCTENOQRXVIN-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.22
H-Bond Donors ≤ 51
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-benzoyl-9b-(4-chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3490267
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The IUPAC name of N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (CID 59025708) is N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.
What is the SMILES notation for N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The canonical SMILES for N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is O=C(NCc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The InChIKey is AZCCTENOQRXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-12-10-18(11-13-19)24-21-9-5-4-8-20(21)22(29)27(24)14-15-28(24)23(30)26-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,30).
What are the key properties of N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is sourced from PubChem (CID 59025708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).