1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C23H19FN2O — CID 59025703

IUPAC1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccccc3)N(Cc3ccc(F)cc3)CCN12
InChIInChI=1S/C23H19FN2O/c24-19-12-10-17(11-13-19)16-25-14-15-26-22(27)20-8-4-5-9-21(20)23(25,26)18-6-2-1-3-7-18/h1-13H,14-16H2
InChIKeyTYBKINIAWRUUQU-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.00
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025703) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025703
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccccc3)N(Cc3ccc(F)cc3)CCN12
InChIInChI=1S/C23H19FN2O/c24-19-12-10-17(11-13-19)16-25-14-15-26-22(27)20-8-4-5-9-21(20)23(25,26)18-6-2-1-3-7-18/h1-13H,14-16H2
InChIKeyTYBKINIAWRUUQU-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025703) is 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(c3ccccc3)N(Cc3ccc(F)cc3)CCN12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is TYBKINIAWRUUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c24-19-12-10-17(11-13-19)16-25-14-15-26-22(27)20-8-4-5-9-21(20)23(25,26)18-6-2-1-3-7-18/h1-13H,14-16H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 358.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).