4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline

C128H76F5N15S2 — CID 157177372

About 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline

4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline (PubChem CID 157177372) has the molecular formula C128H76F5N15S2 and a molecular weight of 1983.24 g/mol. Its IUPAC name is 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline.

Molecular Properties

• Compound Name: 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline
• PubChem CID: 157177372
• Molecular Formula: C128H76F5N15S2
• Molecular Weight: 1983.24 g/mol
• Exact Mass: 1981.58
• IUPAC Name: 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline
• SMILES: Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2cn3c4ccccc4nc3c3ccccc23)c1.Fc1c(F)c(F)c(-c2cn3c4ccccc4nc3c3ccccc23)c(F)c1F.N#Cc1ccc(-c2cn3c4ccccc4nc3c3ccccc23)cc1.c1ccc2c(c1)sc1ccc(-c3cn4c5ccncc5nc4c4ncccc34)cc12.c1cnc2c(c1)nc1c3ncccc3c(-c3ccc4sc5ccccc5c4c3)cn21
• InChI: InChI=1S/C35H26N2.2C25H14N4S.C22H13N3.C21H9F5N2/c1-23-11-3-5-13-28(23)25-19-26(29-14-6-4-12-24(29)2)21-27(20-25)32-22-37-34-18-10-9-17-33(34)36-35(37)31-16-8-7-15-30(31)32;1-2-8-21-16(5-1)18-13-15(9-10-22(18)30-21)19-14-29-24-20(7-4-12-27-24)28-25(29)23-17(19)6-3-11-26-23;1-2-6-22-16(4-1)18-12-15(7-8-23(18)30-22)19-14-29-21-9-11-26-13-20(21)28-25(29)24-17(19)5-3-10-27-24;23-13-15-9-11-16(12-10-15)19-14-25-21-8-4-3-7-20(21)24-22(25)18-6-2-1-5-17(18)19;22-16-15(17(23)19(25)20(26)18(16)24)12-9-28-14-8-4-3-7-13(14)27-21(28)11-6-2-1-5-10(11)12/h3-22H,1-2H3;2*1-14H;1-12,14H;1-9H
• InChIKey: AOEBLSFDMOEOOW-UHFFFAOYSA-N
• XLogP: 33.37
• TPSA: 161.85 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.24
LogP ≤ 5	33.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline?

The IUPAC name of 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline (CID 157177372) is 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline.

What is the SMILES notation for 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline?

The canonical SMILES for 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline is Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2cn3c4ccccc4nc3c3ccccc23)c1.Fc1c(F)c(F)c(-c2cn3c4ccccc4nc3c3ccccc23)c(F)c1F.N#Cc1ccc(-c2cn3c4ccccc4nc3c3ccccc23)cc1.c1ccc2c(c1)sc1ccc(-c3cn4c5ccncc5nc4c4ncccc34)cc12.c1cnc2c(c1)nc1c3ncccc3c(-c3ccc4sc5ccccc5c4c3)cn21.

What is the InChIKey of 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline?

The InChIKey is AOEBLSFDMOEOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2.2C25H14N4S.C22H13N3.C21H9F5N2/c1-23-11-3-5-13-28(23)25-19-26(29-14-6-4-12-24(29)2)21-27(20-25)32-22-37-34-18-10-9-17-33(34)36-35(37)31-16-8-7-15-30(31)32;1-2-8-21-16(5-1)18-13-15(9-10-22(18)30-21)19-14-29-24-20(7-4-12-27-24)28-25(29)23-17(19)6-3-11-26-23;1-2-6-22-16(4-1)18-12-15(7-8-23(18)30-22)19-14-29-21-9-11-26-13-20(21)28-25(29)24-17(19)5-3-10-27-24;23-13-15-9-11-16(12-10-15)19-14-25-21-8-4-3-7-20(21)24-22(25)18-6-2-1-5-17(18)19;22-16-15(17(23)19(25)20(26)18(16)24)12-9-28-14-8-4-3-7-13(14)27-21(28)11-6-2-1-5-10(11)12/h3-22H,1-2H3;2*1-14H;1-12,14H;1-9H.

What are the key properties of 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline?

4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline has a molecular weight of 1983.24 g/mol, XLogP of 33.37, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 157177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).