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

C42H32N10O4 — CID 155545738

IUPAC2-[5-[[4-[[4-[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccccc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)nc2c1
InChIInChI=1S/C42H32N10O4/c1-2-6-36-35(5-1)43-41(44-36)39-19-17-33(55-39)23-51-21-29(47-49-51)25-53-31-13-9-27(10-14-31)28-11-15-32(16-12-28)54-26-30-22-52(50-48-30)24-34-18-20-40(56-34)42-45-37-7-3-4-8-38(37)46-42/h1-22H,23-26H2,(H,43,44)(H,45,46)
InChIKeyRTNKPOZMWAYHGE-UHFFFAOYSA-N
MW740.78 g/mol
LogP8.06
Rot. Bonds13

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

2-[5-[[4-[[4-[4-[[1-[[5-(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 155545738) has the molecular formula C42H32N10O4 and a molecular weight of 740.78 g/mol. Its IUPAC name is 2-[5-[[4-[[4-[4-[[1-[[5-(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 Name2-[5-[[4-[[4-[4-[[1-[[5-(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 CID155545738
Molecular FormulaC42H32N10O4
Molecular Weight740.78 g/mol
Exact Mass740.26
IUPAC Name2-[5-[[4-[[4-[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccccc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)nc2c1
InChIInChI=1S/C42H32N10O4/c1-2-6-36-35(5-1)43-41(44-36)39-19-17-33(55-39)23-51-21-29(47-49-51)25-53-31-13-9-27(10-14-31)28-11-15-32(16-12-28)54-26-30-22-52(50-48-30)24-34-18-20-40(56-34)42-45-37-7-3-4-8-38(37)46-42/h1-22H,23-26H2,(H,43,44)(H,45,46)
InChIKeyRTNKPOZMWAYHGE-UHFFFAOYSA-N
XLogP8.06
TPSA163.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.78
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[5-[[4-[[4-[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[[4-[4-[[1-[[5-(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 2-[5-[[4-[[4-[4-[[1-[[5-(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 155545738) is 2-[5-[[4-[[4-[4-[[1-[[5-(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 2-[5-[[4-[[4-[4-[[1-[[5-(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 2-[5-[[4-[[4-[4-[[1-[[5-(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 c1ccc2[nH]c(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccccc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)nc2c1.
What is the InChIKey of 2-[5-[[4-[[4-[4-[[1-[[5-(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 RTNKPOZMWAYHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N10O4/c1-2-6-36-35(5-1)43-41(44-36)39-19-17-33(55-39)23-51-21-29(47-49-51)25-53-31-13-9-27(10-14-31)28-11-15-32(16-12-28)54-26-30-22-52(50-48-30)24-34-18-20-40(56-34)42-45-37-7-3-4-8-38(37)46-42/h1-22H,23-26H2,(H,43,44)(H,45,46).
What are the key properties of 2-[5-[[4-[[4-[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
2-[5-[[4-[[4-[4-[[1-[[5-(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 740.78 g/mol, XLogP of 8.06, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[[4-[4-[[1-[[5-(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 155545738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).