2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide

C20H16N4O4 — CID 135718299

IUPAC2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
SMILESO=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=O)Nc1ccc(O)cc1
InChIInChI=1S/C20H16N4O4/c25-14-7-5-13(6-8-14)22-18(26)11-24-19(27)17(23-20(24)28)9-12-10-21-16-4-2-1-3-15(12)16/h1-10,25,27H,11H2,(H,22,26)(H,23,28)/b12-9+
InChIKeyIFGHEPVREJYSPG-FMIVXFBMSA-N
MW376.37 g/mol
LogP2.48
Rot. Bonds4

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

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide (PubChem CID 135718299) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
PubChem CID135718299
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
SMILESO=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=O)Nc1ccc(O)cc1
InChIInChI=1S/C20H16N4O4/c25-14-7-5-13(6-8-14)22-18(26)11-24-19(27)17(23-20(24)28)9-12-10-21-16-4-2-1-3-15(12)16/h1-10,25,27H,11H2,(H,22,26)(H,23,28)/b12-9+
InChIKeyIFGHEPVREJYSPG-FMIVXFBMSA-N
XLogP2.48
TPSA119.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 135718306
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide
CID 135718295
2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 137263335
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
CID 137035511
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
CID 2937683
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135614510
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
N-(4-chlorophenyl)-3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanamide
CID 135732676
4-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-N-(4-nitrophenyl)butanamide
CID 135718225
N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 137068640

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide (CID 135718299) is 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide is O=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is IFGHEPVREJYSPG-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-14-7-5-13(6-8-14)22-18(26)11-24-19(27)17(23-20(24)28)9-12-10-21-16-4-2-1-3-15(12)16/h1-10,25,27H,11H2,(H,22,26)(H,23,28)/b12-9+.
What are the key properties of 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide?
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 376.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 135718299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).