6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C₄₈H₄₀N₁₄O₄ — CID 155568585

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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155568585) has the molecular formula C₄₈H₄₀N₁₄O₄ and a molecular weight of 876.94 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
• PubChem CID: 155568585
• Molecular Formula: C₄₈H₄₀N₁₄O₄
• Molecular Weight: 876.94 g/mol
• Exact Mass: 876.34
• IUPAC Name: 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
• SMILES: c1cc(-c2ccc(OCc3cn(Cc4ccc(-c5nc6ccc(C7=NCCN7)cc6[nH]5)o4)nn3)cc2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1
• InChI: InChI=1S/C48H40N14O4/c1-7-35(63-27-33-23-61(59-57-33)25-37-11-15-43(65-37)47-53-39-13-5-31(21-41(39)55-47)45-49-17-18-50-45)8-2-29(1)30-3-9-36(10-4-30)64-28-34-24-62(60-58-34)26-38-12-16-44(66-38)48-54-40-14-6-32(22-42(40)56-48)46-51-19-20-52-46/h1-16,21-24H,17-20,25-28H2,(H,49,50)(H,51,52)(H,53,55)(H,54,56)
• InChIKey: ONRNSOUQTYCKSL-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 212.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	876.94
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155568585) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

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

The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is c1cc(-c2ccc(OCc3cn(Cc4ccc(-c5nc6ccc(C7=NCCN7)cc6[nH]5)o4)nn3)cc2)ccc1OCc1cn(Cc2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)nn1.

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

The InChIKey is ONRNSOUQTYCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N14O4/c1-7-35(63-27-33-23-61(59-57-33)25-37-11-15-43(65-37)47-53-39-13-5-31(21-41(39)55-47)45-49-17-18-50-45)8-2-29(1)30-3-9-36(10-4-30)64-28-34-24-62(60-58-34)26-38-12-16-44(66-38)48-54-40-14-6-32(22-42(40)56-48)46-51-19-20-52-46/h1-16,21-24H,17-20,25-28H2,(H,49,50)(H,51,52)(H,53,55)(H,54,56).

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

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 876.94 g/mol, XLogP of 6.76, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[[4-[[4-[4-[[1-[[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 155568585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155568585 — identifiers, structure, computed properties (public domain)

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