2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole

C28H18N4O — CID 25139629

IUPAC2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4cc5cc(-c6nc7ccccc7[nH]6)ccc5o4)cc3)nc2c1
InChIInChI=1S/C28H18N4O/c1-2-6-22-21(5-1)29-27(30-22)18-11-9-17(10-12-18)26-16-20-15-19(13-14-25(20)33-26)28-31-23-7-3-4-8-24(23)32-28/h1-16H,(H,29,30)(H,31,32)
InChIKeyVFOYEMOOCHTLEH-UHFFFAOYSA-N
MW426.48 g/mol
LogP7.19
Rot. Bonds3

About 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole

2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole (PubChem CID 25139629) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole
PubChem CID25139629
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4cc5cc(-c6nc7ccccc7[nH]6)ccc5o4)cc3)nc2c1
InChIInChI=1S/C28H18N4O/c1-2-6-22-21(5-1)29-27(30-22)18-11-9-17(10-12-18)26-16-20-15-19(13-14-25(20)33-26)28-31-23-7-3-4-8-24(23)32-28/h1-16H,(H,29,30)(H,31,32)
InChIKeyVFOYEMOOCHTLEH-UHFFFAOYSA-N
XLogP7.19
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole (CID 25139629) is 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(-c4cc5cc(-c6nc7ccccc7[nH]6)ccc5o4)cc3)nc2c1.
What is the InChIKey of 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole?
The InChIKey is VFOYEMOOCHTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c1-2-6-22-21(5-1)29-27(30-22)18-11-9-17(10-12-18)26-16-20-15-19(13-14-25(20)33-26)28-31-23-7-3-4-8-24(23)32-28/h1-16H,(H,29,30)(H,31,32).
What are the key properties of 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole?
2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole has a molecular weight of 426.48 g/mol, XLogP of 7.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1H-benzimidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 25139629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).