8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

C26H19F2N3O2 — CID 136859305

About 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 136859305) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 136859305
• Molecular Formula: C26H19F2N3O2
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.14
• IUPAC Name: 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1ccc(-c2cn3c(O)c(Cc4ccc(F)cc4F)nc3c(Cc3ccccc3)n2)cc1
• InChI: InChI=1S/C26H19F2N3O2/c27-19-9-6-18(21(28)14-19)13-23-26(33)31-15-24(17-7-10-20(32)11-8-17)29-22(25(31)30-23)12-16-4-2-1-3-5-16/h1-11,14-15,32-33H,12-13H2
• InChIKey: BDBLITHIUHJJKX-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 70.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 136859305) is 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(-c2cn3c(O)c(Cc4ccc(F)cc4F)nc3c(Cc3ccccc3)n2)cc1.

What is the InChIKey of 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is BDBLITHIUHJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2/c27-19-9-6-18(21(28)14-19)13-23-26(33)31-15-24(17-7-10-20(32)11-8-17)29-22(25(31)30-23)12-16-4-2-1-3-5-16/h1-11,14-15,32-33H,12-13H2.

What are the key properties of 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?

8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 443.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 136859305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).