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

C42H30F2N10O4 — CID 155542473

IUPAC6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(F)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1
InChIInChI=1S/C42H30F2N10O4/c43-27-5-13-35-37(17-27)47-41(45-35)39-15-11-33(57-39)21-53-19-29(49-51-53)23-55-31-7-1-25(2-8-31)26-3-9-32(10-4-26)56-24-30-20-54(52-50-30)22-34-12-16-40(58-34)42-46-36-14-6-28(44)18-38(36)48-42/h1-20H,21-24H2,(H,45,47)(H,46,48)
InChIKeyXHVMJZRTDHNQMZ-UHFFFAOYSA-N
MW776.76 g/mol
LogP8.34
Rot. Bonds13

About 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 155542473) has the molecular formula C42H30F2N10O4 and a molecular weight of 776.76 g/mol. Its IUPAC name is 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 Name6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 CID155542473
Molecular FormulaC42H30F2N10O4
Molecular Weight776.76 g/mol
Exact Mass776.24
IUPAC Name6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(F)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1
InChIInChI=1S/C42H30F2N10O4/c43-27-5-13-35-37(17-27)47-41(45-35)39-15-11-33(57-39)21-53-19-29(49-51-53)23-55-31-7-1-25(2-8-31)26-3-9-32(10-4-26)56-24-30-20-54(52-50-30)22-34-12-16-40(58-34)42-46-36-14-6-28(44)18-38(36)48-42/h1-20H,21-24H2,(H,45,47)(H,46,48)
InChIKeyXHVMJZRTDHNQMZ-UHFFFAOYSA-N
XLogP8.34
TPSA163.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.76
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 155542473) is 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 Fc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(F)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 XHVMJZRTDHNQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F2N10O4/c43-27-5-13-35-37(17-27)47-41(45-35)39-15-11-33(57-39)21-53-19-29(49-51-53)23-55-31-7-1-25(2-8-31)26-3-9-32(10-4-26)56-24-30-20-54(52-50-30)22-34-12-16-40(58-34)42-46-36-14-6-28(44)18-38(36)48-42/h1-20H,21-24H2,(H,45,47)(H,46,48).
What are the key properties of 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 776.76 g/mol, XLogP of 8.34, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-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 155542473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).