8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C25H20ClN3O2 — CID 161257499

About 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 161257499) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 161257499
• Molecular Formula: C25H20ClN3O2
• Molecular Weight: 429.91 g/mol
• Exact Mass: 429.12
• IUPAC Name: 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Cc1cc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)ccc1Cl
• InChI: InChI=1S/C25H20ClN3O2/c1-16-12-18(9-10-20(16)26)23-15-29-24(21(27-23)13-17-6-3-2-4-7-17)28-22(25(29)30)14-19-8-5-11-31-19/h2-12,15,30H,13-14H2,1H3
• InChIKey: FYTDEFHJDKWRAZ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 63.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.91
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 161257499) is 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Cc1cc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)ccc1Cl.

What is the InChIKey of 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is FYTDEFHJDKWRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-16-12-18(9-10-20(16)26)23-15-29-24(21(27-23)13-17-6-3-2-4-7-17)28-22(25(29)30)14-19-8-5-11-31-19/h2-12,15,30H,13-14H2,1H3.

What are the key properties of 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 429.91 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 161257499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).