3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one

C23H16N2O2 — CID 1293921

IUPAC3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H16N2O2/c26-22-20(16-10-4-6-12-18(16)24-22)21-17-11-5-7-13-19(17)25(23(21)27)14-15-8-2-1-3-9-15/h1-13,27H,14H2
InChIKeyRESIDJWHUFXREE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.75
Rot. Bonds3

About 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one

3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one (PubChem CID 1293921) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one.

Molecular Properties

Compound Name3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one
PubChem CID1293921
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H16N2O2/c26-22-20(16-10-4-6-12-18(16)24-22)21-17-11-5-7-13-19(17)25(23(21)27)14-15-8-2-1-3-9-15/h1-13,27H,14H2
InChIKeyRESIDJWHUFXREE-UHFFFAOYSA-N
XLogP2.75
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one?
The IUPAC name of 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one (CID 1293921) is 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one.
What is the SMILES notation for 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one?
The canonical SMILES for 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one is O=C1N=c2ccccc2=C1c1c(O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one?
The InChIKey is RESIDJWHUFXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-22-20(16-10-4-6-12-18(16)24-22)21-17-11-5-7-13-19(17)25(23(21)27)14-15-8-2-1-3-9-15/h1-13,27H,14H2.
What are the key properties of 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one?
3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2-hydroxyindol-3-yl)indol-2-one is sourced from PubChem (CID 1293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).