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

C25H21FN2O2 — CID 11384017

IUPAC9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H21FN2O2/c1-2-17-7-11-19(12-8-17)25-22-6-4-3-5-21(22)24(30)28(25)16-15-27(25)23(29)18-9-13-20(26)14-10-18/h3-14H,2,15-16H2,1H3
InChIKeyNKXFLDPRONKJFU-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.20
Rot. Bonds3

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

9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 11384017) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID11384017
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H21FN2O2/c1-2-17-7-11-19(12-8-17)25-22-6-4-3-5-21(22)24(30)28(25)16-15-27(25)23(29)18-9-13-20(26)14-10-18/h3-14H,2,15-16H2,1H3
InChIKeyNKXFLDPRONKJFU-UHFFFAOYSA-N
XLogP4.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.20
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-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46933693
1-benzoyl-9b-(4-chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3490267
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
9b-(4-Chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11416547

Frequently Asked Questions

What is the IUPAC name of 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 11384017) is 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CCc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is NKXFLDPRONKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-2-17-7-11-19(12-8-17)25-22-6-4-3-5-21(22)24(30)28(25)16-15-27(25)23(29)18-9-13-20(26)14-10-18/h3-14H,2,15-16H2,1H3.
What are the key properties of 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 400.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 11384017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).