6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol

C27H19N3O3S2 — CID 135980277

About 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 135980277) has the molecular formula C27H19N3O3S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 135980277
• Molecular Formula: C27H19N3O3S2
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.09
• IUPAC Name: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1ccc(Cc2nc3c(-c4ccc(-c5cccs5)s4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C27H19N3O3S2/c31-18-7-3-16(4-8-18)14-20-27(33)30-15-21(17-5-9-19(32)10-6-17)28-25(26(30)29-20)24-12-11-23(35-24)22-2-1-13-34-22/h1-13,15,31-33H,14H2
• InChIKey: YVHZFCHJRFUUJD-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 90.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol (CID 135980277) is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(Cc2nc3c(-c4ccc(-c5cccs5)s4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

What is the InChIKey of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is YVHZFCHJRFUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3S2/c31-18-7-3-16(4-8-18)14-20-27(33)30-15-21(17-5-9-19(32)10-6-17)28-25(26(30)29-20)24-12-11-23(35-24)22-2-1-13-34-22/h1-13,15,31-33H,14H2.

What are the key properties of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol?

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 497.60 g/mol, XLogP of 6.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 135980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).