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

C28H25N3O2 — CID 135934880

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

8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 135934880) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 135934880
• Molecular Formula: C28H25N3O2
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.19
• IUPAC Name: 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: CCc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C28H25N3O2/c1-2-19-8-10-21(11-9-19)17-25-28(33)31-18-26(22-12-14-23(32)15-13-22)29-24(27(31)30-25)16-20-6-4-3-5-7-20/h3-15,18,32-33H,2,16-17H2,1H3
• InChIKey: JWRUWUUZKZHIOT-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 70.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 135934880) is 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is CCc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

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

The InChIKey is JWRUWUUZKZHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-2-19-8-10-21(11-9-19)17-25-28(33)31-18-26(22-12-14-23(32)15-13-22)29-24(27(31)30-25)16-20-6-4-3-5-7-20/h3-15,18,32-33H,2,16-17H2,1H3.

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

8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 435.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 135934880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).