6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C36H26Cl2N10O4 — CID 155522611

About 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155522611) has the molecular formula C36H26Cl2N10O4 and a molecular weight of 733.58 g/mol. Its IUPAC name is 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
• PubChem CID: 155522611
• Molecular Formula: C36H26Cl2N10O4
• Molecular Weight: 733.58 g/mol
• Exact Mass: 732.15
• IUPAC Name: 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
• SMILES: Clc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(Cl)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1
• InChI: InChI=1S/C36H26Cl2N10O4/c37-21-1-9-29-31(13-21)41-35(39-29)33-11-7-27(51-33)17-47-15-23(43-45-47)19-49-25-3-5-26(6-4-25)50-20-24-16-48(46-44-24)18-28-8-12-34(52-28)36-40-30-10-2-22(38)14-32(30)42-36/h1-16H,17-20H2,(H,39,41)(H,40,42)
• InChIKey: SWJAVJXCFSJCFH-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 163.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.58
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

The IUPAC name of 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155522611) is 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

What is the SMILES notation for 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

The canonical SMILES for 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is Clc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(Cl)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1.

What is the InChIKey of 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

The InChIKey is SWJAVJXCFSJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26Cl2N10O4/c37-21-1-9-29-31(13-21)41-35(39-29)33-11-7-27(51-33)17-47-15-23(43-45-47)19-49-25-3-5-26(6-4-25)50-20-24-16-48(46-44-24)18-28-8-12-34(52-28)36-40-30-10-2-22(38)14-32(30)42-36/h1-16H,17-20H2,(H,39,41)(H,40,42).

What are the key properties of 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 733.58 g/mol, XLogP of 7.70, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[5-[[4-[[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 155522611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).