3,3-dibenzyl-1-methylindol-2-one

C23H21NO — CID 2825152

IUPAC3,3-dibenzyl-1-methylindol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H21NO/c1-24-21-15-9-8-14-20(21)23(22(24)25,16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3
InChIKeyIHHASYPFWOYDON-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.39
Rot. Bonds4

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

3,3-dibenzyl-1-methylindol-2-one (PubChem CID 2825152) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,3-dibenzyl-1-methylindol-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-1-methylindol-2-one
PubChem CID2825152
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name3,3-dibenzyl-1-methylindol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H21NO/c1-24-21-15-9-8-14-20(21)23(22(24)25,16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3
InChIKeyIHHASYPFWOYDON-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-1-methylindol-2-one?
The IUPAC name of 3,3-dibenzyl-1-methylindol-2-one (CID 2825152) is 3,3-dibenzyl-1-methylindol-2-one.
What is the SMILES notation for 3,3-dibenzyl-1-methylindol-2-one?
The canonical SMILES for 3,3-dibenzyl-1-methylindol-2-one is CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3,3-dibenzyl-1-methylindol-2-one?
The InChIKey is IHHASYPFWOYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-24-21-15-9-8-14-20(21)23(22(24)25,16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3.
What are the key properties of 3,3-dibenzyl-1-methylindol-2-one?
3,3-dibenzyl-1-methylindol-2-one has a molecular weight of 327.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-1-methylindol-2-one is sourced from PubChem (CID 2825152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).