2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole

C38H22N8O3S2 — CID 141195189

About 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole (PubChem CID 141195189) has the molecular formula C38H22N8O3S2 and a molecular weight of 702.78 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole
• PubChem CID: 141195189
• Molecular Formula: C38H22N8O3S2
• Molecular Weight: 702.78 g/mol
• Exact Mass: 702.13
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole
• SMILES: c1ccc2oc(-c3c(-c4nc5ccccc5s4)c4c(c(-c5ncc[nH]5)c3-c3ncco3)OC(c3nc5ccccc5[nH]3)(c3nccs3)N4)cc2c1
• InChI: InChI=1S/C38H22N8O3S2/c1-5-11-24-20(7-1)19-25(48-24)27-28(34-41-15-17-47-34)30(33-39-13-14-40-33)32-31(29(27)35-43-23-10-4-6-12-26(23)51-35)46-38(49-32,37-42-16-18-50-37)36-44-21-8-2-3-9-22(21)45-36/h1-19,46H,(H,39,40)(H,44,45)
• InChIKey: KEDXMKNNSRGPFR-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 143.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	702.78
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole (CID 141195189) is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole is c1ccc2oc(-c3c(-c4nc5ccccc5s4)c4c(c(-c5ncc[nH]5)c3-c3ncco3)OC(c3nc5ccccc5[nH]3)(c3nccs3)N4)cc2c1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole?

The InChIKey is KEDXMKNNSRGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N8O3S2/c1-5-11-24-20(7-1)19-25(48-24)27-28(34-41-15-17-47-34)30(33-39-13-14-40-33)32-31(29(27)35-43-23-10-4-6-12-26(23)51-35)46-38(49-32,37-42-16-18-50-37)36-44-21-8-2-3-9-22(21)45-36/h1-19,46H,(H,39,40)(H,44,45).

What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole?

2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole has a molecular weight of 702.78 g/mol, XLogP of 9.46, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole is sourced from PubChem (CID 141195189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).