2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole

C37H22N6O2S2 — CID 141377652

About 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole

2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole (PubChem CID 141377652) has the molecular formula C37H22N6O2S2 and a molecular weight of 646.76 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole
• PubChem CID: 141377652
• Molecular Formula: C37H22N6O2S2
• Molecular Weight: 646.76 g/mol
• Exact Mass: 646.12
• IUPAC Name: 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole
• SMILES: c1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)c(-c3nccs3)c(-c3ncc[nH]3)c3sc(-c4cc5ccccc5o4)c(-c4ncco4)c23)c1
• InChI: InChI=1S/C37H22N6O2S2/c1-3-8-22-20(6-1)18-24(43-22)28-27(23-9-5-11-38-23)29-32(36-41-14-16-44-36)33(26-19-21-7-2-4-10-25(21)45-26)47-34(29)31(35-39-12-13-40-35)30(28)37-42-15-17-46-37/h1-19,38,43H,(H,39,40)
• InChIKey: OPYLKCCYBIORMU-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 112.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.76
LogP ≤ 5	10.63
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)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole?

The IUPAC name of 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole (CID 141377652) is 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole is c1c[nH]c(-c2c(-c3cc4ccccc4[nH]3)c(-c3nccs3)c(-c3ncc[nH]3)c3sc(-c4cc5ccccc5o4)c(-c4ncco4)c23)c1.

What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole?

The InChIKey is OPYLKCCYBIORMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6O2S2/c1-3-8-22-20(6-1)18-24(43-22)28-27(23-9-5-11-38-23)29-32(36-41-14-16-44-36)33(26-19-21-7-2-4-10-25(21)45-26)47-34(29)31(35-39-12-13-40-35)30(28)37-42-15-17-46-37/h1-19,38,43H,(H,39,40).

What are the key properties of 2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole?

2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole has a molecular weight of 646.76 g/mol, XLogP of 10.63, 6 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)-7-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-4-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-1-benzothiophen-3-yl]-1,3-oxazole is sourced from PubChem (CID 141377652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).