2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole

C37H28N8OS — CID 140983722

About 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole

2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole (PubChem CID 140983722) has the molecular formula C37H28N8OS and a molecular weight of 632.75 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole
• PubChem CID: 140983722
• Molecular Formula: C37H28N8OS
• Molecular Weight: 632.75 g/mol
• Exact Mass: 632.21
• IUPAC Name: 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole
• SMILES: c1ccc2[nH]c(C3(c4cc5ccccc5o4)N(c4cc5ccccc5s4)CCCC3(c3nn[nH]n3)c3nc4ccccc4[nH]3)cc2c1
• InChI: InChI=1S/C37H28N8OS/c1-4-13-26-23(10-1)20-31(38-26)37(32-21-24-11-2-7-16-29(24)46-32)36(35-41-43-44-42-35,34-39-27-14-5-6-15-28(27)40-34)18-9-19-45(37)33-22-25-12-3-8-17-30(25)47-33/h1-8,10-17,20-22,38H,9,18-19H2,(H,39,40)(H,41,42,43,44)
• InChIKey: VLILOIVPSUJDEV-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 115.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.75
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole?

The IUPAC name of 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole (CID 140983722) is 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole.

What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole?

The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole is c1ccc2[nH]c(C3(c4cc5ccccc5o4)N(c4cc5ccccc5s4)CCCC3(c3nn[nH]n3)c3nc4ccccc4[nH]3)cc2c1.

What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole?

The InChIKey is VLILOIVPSUJDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N8OS/c1-4-13-26-23(10-1)20-31(38-26)37(32-21-24-11-2-7-16-29(24)46-32)36(35-41-43-44-42-35,34-39-27-14-5-6-15-28(27)40-34)18-9-19-45(37)33-22-25-12-3-8-17-30(25)47-33/h1-8,10-17,20-22,38H,9,18-19H2,(H,39,40)(H,41,42,43,44).

What are the key properties of 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole?

2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole has a molecular weight of 632.75 g/mol, XLogP of 8.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(2H-tetrazol-5-yl)piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 140983722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).