4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol

C20H17N3O2 — CID 155551291

IUPAC4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc(C)c1O
InChIInChI=1S/C20H17N3O2/c1-12-6-15(7-13(2)20(12)25)17-11-23-18(9-22-19(23)10-21-17)14-4-3-5-16(24)8-14/h3-11,24-25H,1-2H3
InChIKeyUMSQZLXQTZDWSX-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.09
Rot. Bonds2

About 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol

4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol (PubChem CID 155551291) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol
PubChem CID155551291
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc(C)c1O
InChIInChI=1S/C20H17N3O2/c1-12-6-15(7-13(2)20(12)25)17-11-23-18(9-22-19(23)10-21-17)14-4-3-5-16(24)8-14/h3-11,24-25H,1-2H3
InChIKeyUMSQZLXQTZDWSX-UHFFFAOYSA-N
XLogP4.09
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol (CID 155551291) is 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol is Cc1cc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc(C)c1O.
What is the InChIKey of 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol?
The InChIKey is UMSQZLXQTZDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-6-15(7-13(2)20(12)25)17-11-23-18(9-22-19(23)10-21-17)14-4-3-5-16(24)8-14/h3-11,24-25H,1-2H3.
What are the key properties of 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol?
4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol has a molecular weight of 331.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol is sourced from PubChem (CID 155551291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).