1-benzyl-3-methoxy-5-phenylpyrazin-2-one

C18H16N2O2 — CID 86053729

IUPAC1-benzyl-3-methoxy-5-phenylpyrazin-2-one
SMILESCOc1nc(-c2ccccc2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-22-17-18(21)20(12-14-8-4-2-5-9-14)13-16(19-17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyAZJDPJMVJPFMSY-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.97
Rot. Bonds4

About 1-benzyl-3-methoxy-5-phenylpyrazin-2-one

1-benzyl-3-methoxy-5-phenylpyrazin-2-one (PubChem CID 86053729) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-5-phenylpyrazin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methoxy-5-phenylpyrazin-2-one
PubChem CID86053729
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-benzyl-3-methoxy-5-phenylpyrazin-2-one
SMILESCOc1nc(-c2ccccc2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-22-17-18(21)20(12-14-8-4-2-5-9-14)13-16(19-17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyAZJDPJMVJPFMSY-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate
CID 90795645
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710
1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
CID 76850860
1-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylimidazole
CID 69188613
1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole
CID 163216979
1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one
CID 134090232
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
CID 14241243
1-benzyl-3-tert-butyl-5-chloropyrazin-2-one
CID 15733303
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-5-phenylpyrazin-2-one?
The IUPAC name of 1-benzyl-3-methoxy-5-phenylpyrazin-2-one (CID 86053729) is 1-benzyl-3-methoxy-5-phenylpyrazin-2-one.
What is the SMILES notation for 1-benzyl-3-methoxy-5-phenylpyrazin-2-one?
The canonical SMILES for 1-benzyl-3-methoxy-5-phenylpyrazin-2-one is COc1nc(-c2ccccc2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methoxy-5-phenylpyrazin-2-one?
The InChIKey is AZJDPJMVJPFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-17-18(21)20(12-14-8-4-2-5-9-14)13-16(19-17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 1-benzyl-3-methoxy-5-phenylpyrazin-2-one?
1-benzyl-3-methoxy-5-phenylpyrazin-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxy-5-phenylpyrazin-2-one is sourced from PubChem (CID 86053729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).