2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole

C42H27N7O2 — CID 141337832

About 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole

2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole (PubChem CID 141337832) has the molecular formula C42H27N7O2 and a molecular weight of 661.73 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole
• PubChem CID: 141337832
• Molecular Formula: C42H27N7O2
• Molecular Weight: 661.73 g/mol
• Exact Mass: 661.22
• IUPAC Name: 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole
• SMILES: c1cc2c(c(-c3cnccn3)c1)C(c1cc3ccccc3[nH]1)(c1nc3ccccc3[nH]1)C(c1cc3ccccc3o1)(c1[nH]nc3ccccc13)O2
• InChI: InChI=1S/C42H27N7O2/c1-4-14-29-25(10-1)22-36(45-29)41(40-46-31-16-6-7-17-32(31)47-40)38-27(33-24-43-20-21-44-33)13-9-19-35(38)51-42(41,37-23-26-11-2-8-18-34(26)50-37)39-28-12-3-5-15-30(28)48-49-39/h1-24,45H,(H,46,47)(H,48,49)
• InChIKey: PVXUGRLBXADLRW-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 121.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.73
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole?

The IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole (CID 141337832) is 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole.

What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole?

The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole is c1cc2c(c(-c3cnccn3)c1)C(c1cc3ccccc3[nH]1)(c1nc3ccccc3[nH]1)C(c1cc3ccccc3o1)(c1[nH]nc3ccccc13)O2.

What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole?

The InChIKey is PVXUGRLBXADLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7O2/c1-4-14-29-25(10-1)22-36(45-29)41(40-46-31-16-6-7-17-32(31)47-40)38-27(33-24-43-20-21-44-33)13-9-19-35(38)51-42(41,37-23-26-11-2-8-18-34(26)50-37)39-28-12-3-5-15-30(28)48-49-39/h1-24,45H,(H,46,47)(H,48,49).

What are the key properties of 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole?

2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole has a molecular weight of 661.73 g/mol, XLogP of 8.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-benzofuran-2-yl)-2-(2H-indazol-3-yl)-3-(1H-indol-2-yl)-4-pyrazin-2-yl-1-benzofuran-3-yl]-1H-benzimidazole is sourced from PubChem (CID 141337832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).