8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one

C22H21N3O2 — CID 15161127

IUPAC8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one
SMILESCC(C)C1N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN2C1=O
InChIInChI=1S/C22H21N3O2/c1-14(2)20-22(27)25-13-19(16-8-10-17(26)11-9-16)23-18(21(25)24-20)12-15-6-4-3-5-7-15/h3-11,13-14,20,26H,12H2,1-2H3
InChIKeyBYEMLIFYQVCMCJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.65
Rot. Bonds4

About 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one

8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one (PubChem CID 15161127) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one
PubChem CID15161127
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one
SMILESCC(C)C1N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN2C1=O
InChIInChI=1S/C22H21N3O2/c1-14(2)20-22(27)25-13-19(16-8-10-17(26)11-9-16)23-18(21(25)24-20)12-15-6-4-3-5-7-15/h3-11,13-14,20,26H,12H2,1-2H3
InChIKeyBYEMLIFYQVCMCJ-UHFFFAOYSA-N
XLogP3.65
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aequorin
CID 2829
8-Benzyl-2-hydroxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2H-imidazo[1,2-A]pyrazin-3-one
CID 5287994
c2-Hydroperoxy-coelenterazine
CID 5288011
CP-Coeleneterazine
CID 98454432
(2S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-one
CID 137348796
(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
CID 101164052
(2Z)-8-benzyl-2-[(2,4-difluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
CID 101809708
(2Z)-8-benzyl-2-[(2,6-difluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
CID 101809709
Dehydrocoelenterazine
CID 131841504
8-Benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-one
CID 2507
(2S)-1-benzyl-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146469719
(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one
CID 5288014

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one?
The IUPAC name of 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one (CID 15161127) is 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one.
What is the SMILES notation for 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one?
The canonical SMILES for 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one is CC(C)C1N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN2C1=O.
What is the InChIKey of 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one?
The InChIKey is BYEMLIFYQVCMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14(2)20-22(27)25-13-19(16-8-10-17(26)11-9-16)23-18(21(25)24-20)12-15-6-4-3-5-7-15/h3-11,13-14,20,26H,12H2,1-2H3.
What are the key properties of 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one?
8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one has a molecular weight of 359.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(4-hydroxyphenyl)-2-propan-2-yl-2H-imidazo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 15161127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).