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

C23H17N3O3S — CID 135980283

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

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 135980283) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 135980283
• Molecular Formula: C23H17N3O3S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.10
• IUPAC Name: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1ccc(Cc2nc3c(-c4cccs4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C23H17N3O3S/c27-16-7-3-14(4-8-16)12-18-23(29)26-13-19(15-5-9-17(28)10-6-15)24-21(22(26)25-18)20-2-1-11-30-20/h1-11,13,27-29H,12H2
• InChIKey: NCKDFELIBAIFPN-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 90.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol (CID 135980283) is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol is Oc1ccc(Cc2nc3c(-c4cccs4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

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

The InChIKey is NCKDFELIBAIFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-16-7-3-14(4-8-16)12-18-23(29)26-13-19(15-5-9-17(28)10-6-15)24-21(22(26)25-18)20-2-1-11-30-20/h1-11,13,27-29H,12H2.

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

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 415.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 135980283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).