7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole

C72H46N18 — CID 161018566

About 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole

7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole (PubChem CID 161018566) has the molecular formula C72H46N18 and a molecular weight of 1163.29 g/mol. Its IUPAC name is 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole
• PubChem CID: 161018566
• Molecular Formula: C72H46N18
• Molecular Weight: 1163.29 g/mol
• Exact Mass: 1162.42
• IUPAC Name: 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole
• SMILES: c1cc(-c2cccc(-n3ccn4c5cc(-n6ccn7c8ccccc8nc67)ccc5nc34)c2)cc(-n2ccn3c4ccccc4nc23)c1.c1cc(-n2ccn3c4ccccc4nc23)cc(-n2ccn3c4cc(-n5ccn6c7ccccc7nc56)ccc4nc23)c1
• InChI: InChI=1S/C39H25N9.C33H21N9/c1-3-13-34-31(11-1)40-37-43(17-20-46(34)37)28-9-5-7-26(23-28)27-8-6-10-29(24-27)44-19-22-48-36-25-30(15-16-33(36)42-39(44)48)45-18-21-47-35-14-4-2-12-32(35)41-38(45)47;1-3-10-28-25(8-1)34-31-37(14-17-40(28)31)22-6-5-7-23(20-22)38-16-19-42-30-21-24(12-13-27(30)36-33(38)42)39-15-18-41-29-11-4-2-9-26(29)35-32(39)41/h1-25H;1-21H
• InChIKey: TYBAOOUMSWLYNI-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 133.38 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1163.29
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole?

The IUPAC name of 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole (CID 161018566) is 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole.

What is the SMILES notation for 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole?

The canonical SMILES for 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole is c1cc(-c2cccc(-n3ccn4c5cc(-n6ccn7c8ccccc8nc67)ccc5nc34)c2)cc(-n2ccn3c4ccccc4nc23)c1.c1cc(-n2ccn3c4ccccc4nc23)cc(-n2ccn3c4cc(-n5ccn6c7ccccc7nc56)ccc4nc23)c1.

What is the InChIKey of 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole?

The InChIKey is TYBAOOUMSWLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N9.C33H21N9/c1-3-13-34-31(11-1)40-37-43(17-20-46(34)37)28-9-5-7-26(23-28)27-8-6-10-29(24-27)44-19-22-48-36-25-30(15-16-33(36)42-39(44)48)45-18-21-47-35-14-4-2-12-32(35)41-38(45)47;1-3-10-28-25(8-1)34-31-37(14-17-40(28)31)22-6-5-7-23(20-22)38-16-19-42-30-21-24(12-13-27(30)36-33(38)42)39-15-18-41-29-11-4-2-9-26(29)35-32(39)41/h1-25H;1-21H.

What are the key properties of 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole?

7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole has a molecular weight of 1163.29 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 161018566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).