2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

C27H17N5O — CID 54756463

IUPAC2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESc1ccc2oc(-c3nc4ccc(-c5ccc6nc(-c7ccncc7)[nH]c6c5)cc4[nH]3)cc2c1
InChIInChI=1S/C27H17N5O/c1-2-4-24-19(3-1)15-25(33-24)27-30-21-8-6-18(14-23(21)32-27)17-5-7-20-22(13-17)31-26(29-20)16-9-11-28-12-10-16/h1-15H,(H,29,31)(H,30,32)
InChIKeyAVKAIFLKVYIQBY-UHFFFAOYSA-N
MW427.47 g/mol
LogP6.58
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole (PubChem CID 54756463) has the molecular formula C27H17N5O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
PubChem CID54756463
Molecular FormulaC27H17N5O
Molecular Weight427.47 g/mol
Exact Mass427.14
IUPAC Name2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESc1ccc2oc(-c3nc4ccc(-c5ccc6nc(-c7ccncc7)[nH]c6c5)cc4[nH]3)cc2c1
InChIInChI=1S/C27H17N5O/c1-2-4-24-19(3-1)15-25(33-24)27-30-21-8-6-18(14-23(21)32-27)17-5-7-20-22(13-17)31-26(29-20)16-9-11-28-12-10-16/h1-15H,(H,29,31)(H,30,32)
InChIKeyAVKAIFLKVYIQBY-UHFFFAOYSA-N
XLogP6.58
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole (CID 54756463) is 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole is c1ccc2oc(-c3nc4ccc(-c5ccc6nc(-c7ccncc7)[nH]c6c5)cc4[nH]3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The InChIKey is AVKAIFLKVYIQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5O/c1-2-4-24-19(3-1)15-25(33-24)27-30-21-8-6-18(14-23(21)32-27)17-5-7-20-22(13-17)31-26(29-20)16-9-11-28-12-10-16/h1-15H,(H,29,31)(H,30,32).
What are the key properties of 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole?
2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole has a molecular weight of 427.47 g/mol, XLogP of 6.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 54756463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).