2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole

C41H25N5OS — CID 141050991

IUPAC2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3c(-c4cnccn4)cc(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C41H25N5OS/c1-4-12-29-24(9-1)19-32(44-29)38-27(33-23-42-17-18-43-33)22-28(41-45-30-13-5-6-14-31(30)46-41)39(37-21-26-11-3-8-16-36(26)48-37)40(38)35-20-25-10-2-7-15-34(25)47-35/h1-23,44H,(H,45,46)
InChIKeyYTBYMCQBGVTGOS-UHFFFAOYSA-N
MW635.75 g/mol
LogP11.13
Rot. Bonds5

About 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole

2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole (PubChem CID 141050991) has the molecular formula C41H25N5OS and a molecular weight of 635.75 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
PubChem CID141050991
Molecular FormulaC41H25N5OS
Molecular Weight635.75 g/mol
Exact Mass635.18
IUPAC Name2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3c(-c4cnccn4)cc(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C41H25N5OS/c1-4-12-29-24(9-1)19-32(44-29)38-27(33-23-42-17-18-43-33)22-28(41-45-30-13-5-6-14-31(30)46-41)39(37-21-26-11-3-8-16-36(26)48-37)40(38)35-20-25-10-2-7-15-34(25)47-35/h1-23,44H,(H,45,46)
InChIKeyYTBYMCQBGVTGOS-UHFFFAOYSA-N
XLogP11.13
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.75
LogP ≤ 511.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
CID 141050959
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-1,3-benzothiazole
CID 141189608
1-[6-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-7-quinolin-2-yl-2-benzofuran-1-yl]isoquinoline
CID 141080144
4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole
CID 141116198
6-(1H-benzimidazol-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(furan-2-yl)-3,5-bis(1H-indol-2-yl)chromen-2-one
CID 141056962
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
CID 141275777
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
CID 141179419
2-[5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-6-pyrazin-2-yl-7-pyrimidin-2-yl-4-quinolin-2-yl-1H-indol-2-yl]quinoxaline
CID 141152611
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-dibenzothiophen-4-yl-1H-benzimidazole
CID 139436159
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole (CID 141050991) is 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole is c1ccc2[nH]c(-c3c(-c4cnccn4)cc(-c4nc5ccccc5[nH]4)c(-c4cc5ccccc5s4)c3-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole?
The InChIKey is YTBYMCQBGVTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5OS/c1-4-12-29-24(9-1)19-32(44-29)38-27(33-23-42-17-18-43-33)22-28(41-45-30-13-5-6-14-31(30)46-41)39(37-21-26-11-3-8-16-36(26)48-37)40(38)35-20-25-10-2-7-15-34(25)47-35/h1-23,44H,(H,45,46).
What are the key properties of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole?
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole has a molecular weight of 635.75 g/mol, XLogP of 11.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole is sourced from PubChem (CID 141050991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).