5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole

C118H65N29O4S3 — CID 159668518

IUPAC5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cccc4c3nc3sc5ccccc5n34)no2)cc1.c1ccc2c(c1)nc1n(-c3ccc4nc5n(-c6noc(-n7c8ccccc8n8c9ccccc9nc78)n6)c6ccccc6n5c4c3)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3noc(-n4c5ccccc5n5c6ccccc6nc45)n3)c3ccccc3n21.c1ccc2c(c1)sc1nc3c(-c4noc(-c5cccc6c5nc5sc7ccccc7n56)n4)cccc3n12
InChIInChI=1S/C41H23N11O.C28H16N8O.C28H14N6OS2.C21H12N4OS/c1-3-13-28-25(11-1)42-38-47(30-15-5-6-16-31(30)48(28)38)24-21-22-27-36(23-24)50-32-17-7-9-19-34(32)51(39(50)44-27)37-45-41(53-46-37)52-35-20-10-8-18-33(35)49-29-14-4-2-12-26(29)43-40(49)52;1-3-11-19-17(9-1)29-26-33(19)21-13-5-7-15-23(21)35(26)25-31-28(37-32-25)36-24-16-8-6-14-22(24)34-20-12-4-2-10-18(20)30-27(34)36;1-3-13-21-17(9-1)33-19-11-5-7-15(23(19)29-27(33)36-21)25-31-26(35-32-25)16-8-6-12-20-24(16)30-28-34(20)18-10-2-4-14-22(18)37-28;1-2-7-13(8-3-1)20-23-19(24-26-20)14-9-6-11-16-18(14)22-21-25(16)15-10-4-5-12-17(15)27-21/h1-23H;1-16H;1-14H;1-12H
InChIKeyMTSKTAZZDFVZGH-UHFFFAOYSA-N
MW2049.22 g/mol
LogP26.72
Rot. Bonds9

About 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole

5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole (PubChem CID 159668518) has the molecular formula C118H65N29O4S3 and a molecular weight of 2049.22 g/mol. Its IUPAC name is 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole
PubChem CID159668518
Molecular FormulaC118H65N29O4S3
Molecular Weight2049.22 g/mol
Exact Mass2047.49
IUPAC Name5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cccc4c3nc3sc5ccccc5n34)no2)cc1.c1ccc2c(c1)nc1n(-c3ccc4nc5n(-c6noc(-n7c8ccccc8n8c9ccccc9nc78)n6)c6ccccc6n5c4c3)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3noc(-n4c5ccccc5n5c6ccccc6nc45)n3)c3ccccc3n21.c1ccc2c(c1)sc1nc3c(-c4noc(-c5cccc6c5nc5sc7ccccc7n56)n4)cccc3n12
InChIInChI=1S/C41H23N11O.C28H16N8O.C28H14N6OS2.C21H12N4OS/c1-3-13-28-25(11-1)42-38-47(30-15-5-6-16-31(30)48(28)38)24-21-22-27-36(23-24)50-32-17-7-9-19-34(32)51(39(50)44-27)37-45-41(53-46-37)52-35-20-10-8-18-33(35)49-29-14-4-2-12-26(29)43-40(49)52;1-3-11-19-17(9-1)29-26-33(19)21-13-5-7-15-23(21)35(26)25-31-28(37-32-25)36-24-16-8-6-14-22(24)34-20-12-4-2-10-18(20)30-27(34)36;1-3-13-21-17(9-1)33-19-11-5-7-15(23(19)29-27(33)36-21)25-31-26(35-32-25)16-8-6-12-20-24(16)30-28-34(20)18-10-2-4-14-22(18)37-28;1-2-7-13(8-3-1)20-23-19(24-26-20)14-9-6-11-16-18(14)22-21-25(16)15-10-4-5-12-17(15)27-21/h1-23H;1-16H;1-14H;1-12H
InChIKeyMTSKTAZZDFVZGH-UHFFFAOYSA-N
XLogP26.72
TPSA318.73 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds9
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.22
LogP ≤ 526.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole (CID 159668518) is 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(-c3cccc4c3nc3sc5ccccc5n34)no2)cc1.c1ccc2c(c1)nc1n(-c3ccc4nc5n(-c6noc(-n7c8ccccc8n8c9ccccc9nc78)n6)c6ccccc6n5c4c3)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3noc(-n4c5ccccc5n5c6ccccc6nc45)n3)c3ccccc3n21.c1ccc2c(c1)sc1nc3c(-c4noc(-c5cccc6c5nc5sc7ccccc7n56)n4)cccc3n12.
What is the InChIKey of 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?
The InChIKey is MTSKTAZZDFVZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N11O.C28H16N8O.C28H14N6OS2.C21H12N4OS/c1-3-13-28-25(11-1)42-38-47(30-15-5-6-16-31(30)48(28)38)24-21-22-27-36(23-24)50-32-17-7-9-19-34(32)51(39(50)44-27)37-45-41(53-46-37)52-35-20-10-8-18-33(35)49-29-14-4-2-12-26(29)43-40(49)52;1-3-11-19-17(9-1)29-26-33(19)21-13-5-7-15-23(21)35(26)25-31-28(37-32-25)36-24-16-8-6-14-22(24)34-20-12-4-2-10-18(20)30-27(34)36;1-3-13-21-17(9-1)33-19-11-5-7-15(23(19)29-27(33)36-21)25-31-26(35-32-25)16-8-6-12-20-24(16)30-28-34(20)18-10-2-4-14-22(18)37-28;1-2-7-13(8-3-1)20-23-19(24-26-20)14-9-6-11-16-18(14)22-21-25(16)15-10-4-5-12-17(15)27-21/h1-23H;1-16H;1-14H;1-12H.
What are the key properties of 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?
5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole has a molecular weight of 2049.22 g/mol, XLogP of 26.72, 9 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]-1,2,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;3,5-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-1,2,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 159668518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).