2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile

C26H18N4O3 — CID 164680549

IUPAC2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile
SMILESN#CC(C#N)C1(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)C(=O)Nc2ccccc21
InChIInChI=1S/C26H18N4O3/c27-14-18(15-28)25(19-10-4-6-12-21(19)29-23(25)31)26(33)20-11-5-7-13-22(20)30(24(26)32)16-17-8-2-1-3-9-17/h1-13,18,33H,16H2,(H,29,31)
InChIKeyGAULNFUMVDPBIX-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.97
Rot. Bonds4

About 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile

2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile (PubChem CID 164680549) has the molecular formula C26H18N4O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile.

Molecular Properties

Compound Name2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile
PubChem CID164680549
Molecular FormulaC26H18N4O3
Molecular Weight434.46 g/mol
Exact Mass434.14
IUPAC Name2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile
SMILESN#CC(C#N)C1(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)C(=O)Nc2ccccc21
InChIInChI=1S/C26H18N4O3/c27-14-18(15-28)25(19-10-4-6-12-21(19)29-23(25)31)26(33)20-11-5-7-13-22(20)30(24(26)32)16-17-8-2-1-3-9-17/h1-13,18,33H,16H2,(H,29,31)
InChIKeyGAULNFUMVDPBIX-UHFFFAOYSA-N
XLogP2.97
TPSA117.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione
CID 101472182
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
CID 132544016
CID 132544016
(1-benzyl-3-cyano-2-oxoindol-3-yl) ethyl carbonate
CID 102343309
(2R)-1'-benzyl-2'-oxospiro[cyclohex-3-ene-2,3'-indole]-1,1-dicarbonitrile
CID 102045340
(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile
CID 56647121
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)butanoate
CID 57374959
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile?
The IUPAC name of 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile (CID 164680549) is 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile.
What is the SMILES notation for 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile?
The canonical SMILES for 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile is N#CC(C#N)C1(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)C(=O)Nc2ccccc21.
What is the InChIKey of 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile?
The InChIKey is GAULNFUMVDPBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O3/c27-14-18(15-28)25(19-10-4-6-12-21(19)29-23(25)31)26(33)20-11-5-7-13-22(20)30(24(26)32)16-17-8-2-1-3-9-17/h1-13,18,33H,16H2,(H,29,31).
What are the key properties of 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile?
2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile has a molecular weight of 434.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile is sourced from PubChem (CID 164680549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).