6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole

C23H14N2OS — CID 138492174

IUPAC6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole
SMILESc1ccc2sc(-c3ccc4oc(-c5ccc6nc[nH]c6c5)cc4c3)cc2c1
InChIInChI=1S/C23H14N2OS/c1-2-4-22-15(3-1)12-23(27-22)16-6-8-20-17(9-16)11-21(26-20)14-5-7-18-19(10-14)25-13-24-18/h1-13H,(H,24,25)
InChIKeyAONREYFUSAKGPK-UHFFFAOYSA-N
MW366.45 g/mol
LogP6.86
Rot. Bonds2

About 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole

6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole (PubChem CID 138492174) has the molecular formula C23H14N2OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole
PubChem CID138492174
Molecular FormulaC23H14N2OS
Molecular Weight366.45 g/mol
Exact Mass366.08
IUPAC Name6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole
SMILESc1ccc2sc(-c3ccc4oc(-c5ccc6nc[nH]c6c5)cc4c3)cc2c1
InChIInChI=1S/C23H14N2OS/c1-2-4-22-15(3-1)12-23(27-22)16-6-8-20-17(9-16)11-21(26-20)14-5-7-18-19(10-14)25-13-24-18/h1-13H,(H,24,25)
InChIKeyAONREYFUSAKGPK-UHFFFAOYSA-N
XLogP6.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole?
The IUPAC name of 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole (CID 138492174) is 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole is c1ccc2sc(-c3ccc4oc(-c5ccc6nc[nH]c6c5)cc4c3)cc2c1.
What is the InChIKey of 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole?
The InChIKey is AONREYFUSAKGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2OS/c1-2-4-22-15(3-1)12-23(27-22)16-6-8-20-17(9-16)11-21(26-20)14-5-7-18-19(10-14)25-13-24-18/h1-13H,(H,24,25).
What are the key properties of 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole?
6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole has a molecular weight of 366.45 g/mol, XLogP of 6.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-benzothiophen-2-yl)-1-benzofuran-2-yl]-1H-benzimidazole is sourced from PubChem (CID 138492174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).