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

C74H47N15O3S3 — CID 163415364

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

2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole (PubChem CID 163415364) has the molecular formula C74H47N15O3S3 and a molecular weight of 1293.51 g/mol. Its IUPAC name is 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole
• PubChem CID: 163415364
• Molecular Formula: C74H47N15O3S3
• Molecular Weight: 1293.51 g/mol
• Exact Mass: 1292.33
• IUPAC Name: 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole
• SMILES: Cc1cccc2c1nc1n(-c3nnc(-c4ccccc4)o3)c3ccccc3n21.Cc1cccc2c1nc1sc3c(-c4nnc(-c5ccccc5)o4)cccc3n12.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7c(C)cccc7n56)o4)cccc3n12
• InChI: InChI=1S/C30H18N6OS2.C22H15N5O.C22H14N4OS/c1-15-7-3-11-19-23(15)31-29-35(19)21-13-5-9-17(25(21)38-29)27-33-34-28(37-27)18-10-6-14-22-26(18)39-30-32-24-16(2)8-4-12-20(24)36(22)30;1-14-8-7-13-18-19(14)23-21-26(18)16-11-5-6-12-17(16)27(21)22-25-24-20(28-22)15-9-3-2-4-10-15;1-13-7-5-11-16-18(13)23-22-26(16)17-12-6-10-15(19(17)28-22)21-25-24-20(27-21)14-8-3-2-4-9-14/h3-14H,1-2H3;2-13H,1H3;2-12H,1H3/i1D3
• InChIKey: ADXWKMIVANLAEO-GXXYEPOPSA-N
• XLogP: 18.57
• TPSA: 190.89 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.51
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole (CID 163415364) is 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole is Cc1cccc2c1nc1n(-c3nnc(-c4ccccc4)o3)c3ccccc3n21.Cc1cccc2c1nc1sc3c(-c4nnc(-c5ccccc5)o4)cccc3n12.[2H]C([2H])([2H])c1cccc2c1nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7c(C)cccc7n56)o4)cccc3n12.

What is the InChIKey of 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole?

The InChIKey is ADXWKMIVANLAEO-GXXYEPOPSA-N. The full InChI is InChI=1S/C30H18N6OS2.C22H15N5O.C22H14N4OS/c1-15-7-3-11-19-23(15)31-29-35(19)21-13-5-9-17(25(21)38-29)27-33-34-28(37-27)18-10-6-14-22-26(18)39-30-32-24-16(2)8-4-12-20(24)36(22)30;1-14-8-7-13-18-19(14)23-21-26(18)16-11-5-6-12-17(16)27(21)22-25-24-20(28-22)15-9-3-2-4-10-15;1-13-7-5-11-16-18(13)23-22-26(16)17-12-6-10-15(19(17)28-22)21-25-24-20(27-21)14-8-3-2-4-9-14/h3-14H,1-2H3;2-13H,1H3;2-12H,1H3/i1D3;;.

What are the key properties of 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole?

2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 1293.51 g/mol, XLogP of 18.57, 7 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 163415364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).