2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile

C26H18N4O — CID 137278722

IUPAC2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)c2nc(Cc3ccccc3)c(O)n12
InChIInChI=1S/C26H18N4O/c27-17-22-23(19-12-6-2-7-13-19)29-24(20-14-8-3-9-15-20)25-28-21(26(31)30(22)25)16-18-10-4-1-5-11-18/h1-15,31H,16H2
InChIKeyXMTNFSDBOPZWOF-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.23
Rot. Bonds4

About 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile

2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile (PubChem CID 137278722) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile
PubChem CID137278722
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)c2nc(Cc3ccccc3)c(O)n12
InChIInChI=1S/C26H18N4O/c27-17-22-23(19-12-6-2-7-13-19)29-24(20-14-8-3-9-15-20)25-28-21(26(31)30(22)25)16-18-10-4-1-5-11-18/h1-15,31H,16H2
InChIKeyXMTNFSDBOPZWOF-UHFFFAOYSA-N
XLogP5.23
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-methoxy-6,8-diphenylimidazo[1,2-a]pyrazin-3-ol
CID 137285380
2,4-dibenzylimidazo[1,2-a]quinoxalin-1-ol
CID 162397146
1-benzyl-5-cyano-4-phenylimidazole-2-carbonyl chloride
CID 20543207
2-benzyl-6-phenyl-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
CID 136717674
2-benzyl-6-phenyl-8-quinolin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 164517221
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 135445694
2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223118
3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile
CID 102492843
2-benzylimidazo[1,2-a]pyridin-3-ol
CID 175985122
8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230838
8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137230845
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile?
The IUPAC name of 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile (CID 137278722) is 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile.
What is the SMILES notation for 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile?
The canonical SMILES for 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2ccccc2)c2nc(Cc3ccccc3)c(O)n12.
What is the InChIKey of 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile?
The InChIKey is XMTNFSDBOPZWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c27-17-22-23(19-12-6-2-7-13-19)29-24(20-14-8-3-9-15-20)25-28-21(26(31)30(22)25)16-18-10-4-1-5-11-18/h1-15,31H,16H2.
What are the key properties of 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile?
2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile has a molecular weight of 402.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile is sourced from PubChem (CID 137278722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).