6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol

C24H19N3O2S — CID 136621569

About 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol

6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 136621569) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 136621569
• Molecular Formula: C24H19N3O2S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.12
• IUPAC Name: 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol
• SMILES: Cc1ccc(Cc2nc3c(-c4ccsc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C24H19N3O2S/c1-15-2-4-16(5-3-15)12-20-24(29)27-13-21(17-6-8-19(28)9-7-17)25-22(23(27)26-20)18-10-11-30-14-18/h2-11,13-14,28-29H,12H2,1H3
• InChIKey: VNDNDNJBEIYRAC-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 70.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol (CID 136621569) is 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol is Cc1ccc(Cc2nc3c(-c4ccsc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

What is the InChIKey of 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol?

The InChIKey is VNDNDNJBEIYRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-15-2-4-16(5-3-15)12-20-24(29)27-13-21(17-6-8-19(28)9-7-17)25-22(23(27)26-20)18-10-11-30-14-18/h2-11,13-14,28-29H,12H2,1H3.

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

6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 413.50 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 136621569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).