1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one

C29H25NO2 — CID 101480098

IUPAC1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
SMILESCOc1ccccc1C1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C29H25NO2/c1-32-27-19-11-9-17-25(27)29(20-22-12-4-2-5-13-22)24-16-8-10-18-26(24)30(28(29)31)21-23-14-6-3-7-15-23/h2-19H,20-21H2,1H3
InChIKeyAWILBDGXGWFVOL-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.77
Rot. Bonds6

About 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one

1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one (PubChem CID 101480098) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
PubChem CID101480098
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
SMILESCOc1ccccc1C1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C29H25NO2/c1-32-27-19-11-9-17-25(27)29(20-22-12-4-2-5-13-22)24-16-8-10-18-26(24)30(28(29)31)21-23-14-6-3-7-15-23/h2-19H,20-21H2,1H3
InChIKeyAWILBDGXGWFVOL-UHFFFAOYSA-N
XLogP5.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
1-benzyl-3-hydroxy-3-[2-(5-methoxynaphthalen-2-yl)ethynyl]indol-2-one
CID 134845634
2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid
CID 175312070
(3S)-1-benzyl-3-phenyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]indol-2-one
CID 154713001
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one
CID 56934766
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
1-benzyl-3,3-dimethylindole-2-thione
CID 848846
ethyl 3-(1-benzyl-3-methyl-2-oxoindol-3-yl)propanoate
CID 122370886
1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 142438041

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one?
The IUPAC name of 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one (CID 101480098) is 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one?
The canonical SMILES for 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one is COc1ccccc1C1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one?
The InChIKey is AWILBDGXGWFVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-32-27-19-11-9-17-25(27)29(20-22-12-4-2-5-13-22)24-16-8-10-18-26(24)30(28(29)31)21-23-14-6-3-7-15-23/h2-19H,20-21H2,1H3.
What are the key properties of 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one?
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one has a molecular weight of 419.52 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one is sourced from PubChem (CID 101480098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).