[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

C21H17N3O — CID 155541112

IUPAC[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3cnc(/C=C/c4ccccc4)cn23)cc1
InChIInChI=1S/C21H17N3O/c25-15-17-6-9-18(10-7-17)20-12-23-21-13-22-19(14-24(20)21)11-8-16-4-2-1-3-5-16/h1-14,25H,15H2/b11-8+
InChIKeyAIETUOHBMOKGEY-DHZHZOJOSA-N
MW327.39 g/mol
LogP4.06
Rot. Bonds4

About [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 155541112) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID155541112
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3cnc(/C=C/c4ccccc4)cn23)cc1
InChIInChI=1S/C21H17N3O/c25-15-17-6-9-18(10-7-17)20-12-23-21-13-22-19(14-24(20)21)11-8-16-4-2-1-3-5-16/h1-14,25H,15H2/b11-8+
InChIKeyAIETUOHBMOKGEY-DHZHZOJOSA-N
XLogP4.06
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 155541112) is [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is OCc1ccc(-c2cnc3cnc(/C=C/c4ccccc4)cn23)cc1.
What is the InChIKey of [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is AIETUOHBMOKGEY-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H17N3O/c25-15-17-6-9-18(10-7-17)20-12-23-21-13-22-19(14-24(20)21)11-8-16-4-2-1-3-5-16/h1-14,25H,15H2/b11-8+.
What are the key properties of [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 327.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 155541112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).