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

C36H26F2N10O4 — CID 155527061

IUPAC6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(F)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1
InChIInChI=1S/C36H26F2N10O4/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)
InChIKeyVJFHPQBJADTBAV-UHFFFAOYSA-N
MW700.67 g/mol
LogP6.68
Rot. Bonds12

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

6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-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 155527061) has the molecular formula C36H26F2N10O4 and a molecular weight of 700.67 g/mol. Its IUPAC name is 6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-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 Name6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
PubChem CID155527061
Molecular FormulaC36H26F2N10O4
Molecular Weight700.67 g/mol
Exact Mass700.21
IUPAC Name6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(F)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1
InChIInChI=1S/C36H26F2N10O4/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)
InChIKeyVJFHPQBJADTBAV-UHFFFAOYSA-N
XLogP6.68
TPSA163.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.67
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]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-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155527061) is 6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-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-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is Fc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(OCc6cn(Cc7ccc(-c8nc9ccc(F)cc9[nH]8)o7)nn6)cc5)nn4)o3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-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 VJFHPQBJADTBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F2N10O4/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-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
6-fluoro-2-[5-[[4-[[4-[[1-[[5-(6-fluoro-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 700.67 g/mol, XLogP of 6.68, 12 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-[[1-[[5-(6-fluoro-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 155527061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).