2,3-dibenzyl-3-hydroxyisoindol-1-one

C22H19NO2 — CID 2898219

IUPAC2,3-dibenzyl-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)22(25,15-17-9-3-1-4-10-17)23(21)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2
InChIKeyBWVGTRJSWMMDPX-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.73
Rot. Bonds4

About 2,3-dibenzyl-3-hydroxyisoindol-1-one

2,3-dibenzyl-3-hydroxyisoindol-1-one (PubChem CID 2898219) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,3-dibenzyl-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name2,3-dibenzyl-3-hydroxyisoindol-1-one
PubChem CID2898219
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2,3-dibenzyl-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)22(25,15-17-9-3-1-4-10-17)23(21)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2
InChIKeyBWVGTRJSWMMDPX-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-3-hydroxyisoindol-1-one?
The IUPAC name of 2,3-dibenzyl-3-hydroxyisoindol-1-one (CID 2898219) is 2,3-dibenzyl-3-hydroxyisoindol-1-one.
What is the SMILES notation for 2,3-dibenzyl-3-hydroxyisoindol-1-one?
The canonical SMILES for 2,3-dibenzyl-3-hydroxyisoindol-1-one is O=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 2,3-dibenzyl-3-hydroxyisoindol-1-one?
The InChIKey is BWVGTRJSWMMDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21-19-13-7-8-14-20(19)22(25,15-17-9-3-1-4-10-17)23(21)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2.
What are the key properties of 2,3-dibenzyl-3-hydroxyisoindol-1-one?
2,3-dibenzyl-3-hydroxyisoindol-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-3-hydroxyisoindol-1-one is sourced from PubChem (CID 2898219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).