2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H15F3N4O3 — CID 137263335

IUPAC2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(O)c(/C=C2/C=Nc3ccccc32)[nH]c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)14-6-2-4-8-16(14)26-18(29)11-28-19(30)17(27-20(28)31)9-12-10-25-15-7-3-1-5-13(12)15/h1-10,30H,11H2,(H,26,29)(H,27,31)/b12-9-
InChIKeyGABYQFLLGBUTKX-XFXZXTDPSA-N
MW428.37 g/mol
LogP3.80
Rot. Bonds4

About 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 137263335) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID137263335
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC Name2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(O)c(/C=C2/C=Nc3ccccc32)[nH]c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)14-6-2-4-8-16(14)26-18(29)11-28-19(30)17(27-20(28)31)9-12-10-25-15-7-3-1-5-13(12)15/h1-10,30H,11H2,(H,26,29)(H,27,31)/b12-9-
InChIKeyGABYQFLLGBUTKX-XFXZXTDPSA-N
XLogP3.80
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide
CID 135718295
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 135718299
4-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 135757122
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53153185
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[(4Z)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16632879
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 19189022
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 98186401
2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16629136
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 137263335) is 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(O)c(/C=C2/C=Nc3ccccc32)[nH]c1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GABYQFLLGBUTKX-XFXZXTDPSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c22-21(23,24)14-6-2-4-8-16(14)26-18(29)11-28-19(30)17(27-20(28)31)9-12-10-25-15-7-3-1-5-13(12)15/h1-10,30H,11H2,(H,26,29)(H,27,31)/b12-9-.
What are the key properties of 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 428.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 137263335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).