2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole

C42H24N6OS2 — CID 141050937

IUPAC2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c4nc(-c5nc6ccccc6[nH]5)sc4c3-c3cnccn3)cc2c1
InChIInChI=1S/C42H24N6OS2/c1-4-12-26-23(9-1)19-29(45-26)35-36(30-22-43-17-18-44-30)40-39(48-42(51-40)41-46-27-13-5-6-14-28(27)47-41)38(34-21-25-11-3-8-16-33(25)50-34)37(35)32-20-24-10-2-7-15-31(24)49-32/h1-22,45H,(H,46,47)
InChIKeyRPHXULDUJFBMCT-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.74
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole

2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole (PubChem CID 141050937) has the molecular formula C42H24N6OS2 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
PubChem CID141050937
Molecular FormulaC42H24N6OS2
Molecular Weight692.83 g/mol
Exact Mass692.15
IUPAC Name2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
SMILESc1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c4nc(-c5nc6ccccc6[nH]5)sc4c3-c3cnccn3)cc2c1
InChIInChI=1S/C42H24N6OS2/c1-4-12-26-23(9-1)19-29(45-26)35-36(30-22-43-17-18-44-30)40-39(48-42(51-40)41-46-27-13-5-6-14-28(27)47-41)38(34-21-25-11-3-8-16-33(25)50-34)37(35)32-20-24-10-2-7-15-31(24)49-32/h1-22,45H,(H,46,47)
InChIKeyRPHXULDUJFBMCT-UHFFFAOYSA-N
XLogP11.74
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole with MolForge

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Related Compounds

6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 57958355
N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
CID 89955294
2-[7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-4-(2-benzylsulfanylphenyl)-3-(1H-indol-2-yl)-2H-1,3-benzothiazol-5-yl]-1,3-benzoxazole
CID 91045967
3-(azocin-2-yl)-7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(2-benzylsulfanylphenyl)-2H-1,3-benzoxazole
CID 91336443
11-(6-Dibenzofuran-2-yl-9-phenylcarbazol-3-yl)-12-(4-dibenzothiophen-2-ylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 117862573
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1H-imidazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 117983917
2-[2-[3-[3-[1-Methyl-5-(4-methylphenyl)imidazol-2-yl]phenyl]-6-[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118245953
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118446294
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 118474430
24-(5-Dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118503215

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole (CID 141050937) is 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole is c1ccc2[nH]c(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5s4)c4nc(-c5nc6ccccc6[nH]5)sc4c3-c3cnccn3)cc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole?
The InChIKey is RPHXULDUJFBMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6OS2/c1-4-12-26-23(9-1)19-29(45-26)35-36(30-22-43-17-18-44-30)40-39(48-42(51-40)41-46-27-13-5-6-14-28(27)47-41)38(34-21-25-11-3-8-16-33(25)50-34)37(35)32-20-24-10-2-7-15-31(24)49-32/h1-22,45H,(H,46,47).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole?
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole has a molecular weight of 692.83 g/mol, XLogP of 11.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 141050937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).