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

C26H23FN2O2 — CID 11200810

IUPAC1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCCc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23FN2O2/c1-2-5-18-8-12-20(13-9-18)26-23-7-4-3-6-22(23)25(31)29(26)17-16-28(26)24(30)19-10-14-21(27)15-11-19/h3-4,6-15H,2,5,16-17H2,1H3
InChIKeyIVSNFHQAIYJSCL-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.59
Rot. Bonds4

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

1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 11200810) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID11200810
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESCCCc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23FN2O2/c1-2-5-18-8-12-20(13-9-18)26-23-7-4-3-6-22(23)25(31)29(26)17-16-28(26)24(30)19-10-14-21(27)15-11-19/h3-4,6-15H,2,5,16-17H2,1H3
InChIKeyIVSNFHQAIYJSCL-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.59
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
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-Ethylphenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11384017
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 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 11200810) is 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is CCCc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is IVSNFHQAIYJSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-2-5-18-8-12-20(13-9-18)26-23-7-4-3-6-22(23)25(31)29(26)17-16-28(26)24(30)19-10-14-21(27)15-11-19/h3-4,6-15H,2,5,16-17H2,1H3.
What are the key properties of 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 414.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-9b-(4-propylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 11200810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).