2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one

C23H20N2O2 — CID 70148576

IUPAC2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one
SMILESO=C1C(Cc2ccccc2)NC(c2ccccc2)=C(c2ccccc2)N1O
InChIInChI=1S/C23H20N2O2/c26-23-20(16-17-10-4-1-5-11-17)24-21(18-12-6-2-7-13-18)22(25(23)27)19-14-8-3-9-15-19/h1-15,20,24,27H,16H2
InChIKeyMIWSZLUMHIWDPP-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.94
Rot. Bonds4

About 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one

2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one (PubChem CID 70148576) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one
PubChem CID70148576
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one
SMILESO=C1C(Cc2ccccc2)NC(c2ccccc2)=C(c2ccccc2)N1O
InChIInChI=1S/C23H20N2O2/c26-23-20(16-17-10-4-1-5-11-17)24-21(18-12-6-2-7-13-18)22(25(23)27)19-14-8-3-9-15-19/h1-15,20,24,27H,16H2
InChIKeyMIWSZLUMHIWDPP-UHFFFAOYSA-N
XLogP3.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]piperazine-2,6-dione
CID 54729707
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
3-benzyl-1-cyclobutylpiperazine-2,5-dione
CID 64969345
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
CID 59883976
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
3-benzyl-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 54671863
(3R,11aS)-3-benzyl-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
CID 11781738
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
5-amino-2-benzyl-6-bromo-4-chloro-1,2-dihydropyrazin-3-one
CID 170984065
3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione
CID 151573123

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one?
The IUPAC name of 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one (CID 70148576) is 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one.
What is the SMILES notation for 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one?
The canonical SMILES for 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one is O=C1C(Cc2ccccc2)NC(c2ccccc2)=C(c2ccccc2)N1O.
What is the InChIKey of 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one?
The InChIKey is MIWSZLUMHIWDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23-20(16-17-10-4-1-5-11-17)24-21(18-12-6-2-7-13-18)22(25(23)27)19-14-8-3-9-15-19/h1-15,20,24,27H,16H2.
What are the key properties of 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one?
2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one is sourced from PubChem (CID 70148576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).