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

C23H14N2OS — CID 134461050

IUPAC2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc4sc(-c5ccc6ccoc6c5)cc4c3)nc2c1
InChIInChI=1S/C23H14N2OS/c1-2-4-19-18(3-1)24-23(25-19)16-7-8-21-17(11-16)13-22(27-21)15-6-5-14-9-10-26-20(14)12-15/h1-13H,(H,24,25)
InChIKeyGGMMWFHZBABRMH-UHFFFAOYSA-N
MW366.45 g/mol
LogP6.86
Rot. Bonds2

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

2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole (PubChem CID 134461050) has the molecular formula C23H14N2OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole
PubChem CID134461050
Molecular FormulaC23H14N2OS
Molecular Weight366.45 g/mol
Exact Mass366.08
IUPAC Name2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc4sc(-c5ccc6ccoc6c5)cc4c3)nc2c1
InChIInChI=1S/C23H14N2OS/c1-2-4-19-18(3-1)24-23(25-19)16-7-8-21-17(11-16)13-22(27-21)15-6-5-14-9-10-26-20(14)12-15/h1-13H,(H,24,25)
InChIKeyGGMMWFHZBABRMH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole (CID 134461050) is 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc4sc(-c5ccc6ccoc6c5)cc4c3)nc2c1.
What is the InChIKey of 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole?
The InChIKey is GGMMWFHZBABRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2OS/c1-2-4-19-18(3-1)24-23(25-19)16-7-8-21-17(11-16)13-22(27-21)15-6-5-14-9-10-26-20(14)12-15/h1-13H,(H,24,25).
What are the key properties of 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole?
2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-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 2-[2-(1-benzofuran-6-yl)-1-benzothiophen-5-yl]-1H-benzimidazole is sourced from PubChem (CID 134461050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).