2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol

C26H20N2O2 — CID 134339562

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol (PubChem CID 134339562) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol.

Molecular Properties

• Compound Name: 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol
• PubChem CID: 134339562
• Molecular Formula: C26H20N2O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.15
• IUPAC Name: 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol
• SMILES: OC(CC1c2ccccc2-c2cncn21)c1ccc2oc(-c3ccccc3)cc2c1
• InChI: InChI=1S/C26H20N2O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-27-16-28(22)23)18-10-11-25-19(12-18)13-26(30-25)17-6-2-1-3-7-17/h1-13,15-16,22,24,29H,14H2
• InChIKey: ULHUOHRRMLWUHA-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 51.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol?

The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol (CID 134339562) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol.

What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol?

The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)c1ccc2oc(-c3ccccc3)cc2c1.

What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol?

The InChIKey is ULHUOHRRMLWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-27-16-28(22)23)18-10-11-25-19(12-18)13-26(30-25)17-6-2-1-3-7-17/h1-13,15-16,22,24,29H,14H2.

What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol?

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol has a molecular weight of 392.46 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 134339562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).