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

C26H20BrN3O2 — CID 136879455

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

8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 136879455) has the molecular formula C26H20BrN3O2 and a molecular weight of 486.37 g/mol. Its IUPAC name is 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 136879455
• Molecular Formula: C26H20BrN3O2
• Molecular Weight: 486.37 g/mol
• Exact Mass: 485.07
• IUPAC Name: 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1ccc(-c2cn3c(O)c(Cc4ccc(Br)cc4)nc3c(Cc3ccccc3)n2)cc1
• InChI: InChI=1S/C26H20BrN3O2/c27-20-10-6-18(7-11-20)15-23-26(32)30-16-24(19-8-12-21(31)13-9-19)28-22(25(30)29-23)14-17-4-2-1-3-5-17/h1-13,16,31-32H,14-15H2
• InChIKey: ZGKSWQTUATYEDR-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 70.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.37
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 136879455) is 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(-c2cn3c(O)c(Cc4ccc(Br)cc4)nc3c(Cc3ccccc3)n2)cc1.

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

The InChIKey is ZGKSWQTUATYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN3O2/c27-20-10-6-18(7-11-20)15-23-26(32)30-16-24(19-8-12-21(31)13-9-19)28-22(25(30)29-23)14-17-4-2-1-3-5-17/h1-13,16,31-32H,14-15H2.

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

8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 486.37 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 136879455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).