2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole

C48H39N9 — CID 162640205

About 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole

2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (PubChem CID 162640205) has the molecular formula C48H39N9 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• PubChem CID: 162640205
• Molecular Formula: C48H39N9
• Molecular Weight: 741.90 g/mol
• Exact Mass: 741.33
• IUPAC Name: 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• SMILES: Cc1c(Cn2c(-c3ccccn3)nc3ccccc32)c(C)c(Cn2c(-c3ccccn3)nc3ccccc32)c(C)c1Cn1c(-c2ccccn2)nc2ccccc21
• InChI: InChI=1S/C48H39N9/c1-31-34(28-55-43-22-7-4-16-37(43)52-46(55)40-19-10-13-25-49-40)32(2)36(30-57-45-24-9-6-18-39(45)54-48(57)42-21-12-15-27-51-42)33(3)35(31)29-56-44-23-8-5-17-38(44)53-47(56)41-20-11-14-26-50-41/h4-27H,28-30H2,1-3H3
• InChIKey: IBWCBWSOOHVPRX-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.90
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?

The IUPAC name of 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (CID 162640205) is 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole.

What is the SMILES notation for 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?

The canonical SMILES for 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is Cc1c(Cn2c(-c3ccccn3)nc3ccccc32)c(C)c(Cn2c(-c3ccccn3)nc3ccccc32)c(C)c1Cn1c(-c2ccccn2)nc2ccccc21.

What is the InChIKey of 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?

The InChIKey is IBWCBWSOOHVPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N9/c1-31-34(28-55-43-22-7-4-16-37(43)52-46(55)40-19-10-13-25-49-40)32(2)36(30-57-45-24-9-6-18-39(45)54-48(57)42-21-12-15-27-51-42)33(3)35(31)29-56-44-23-8-5-17-38(44)53-47(56)41-20-11-14-26-50-41/h4-27H,28-30H2,1-3H3.

What are the key properties of 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?

2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole has a molecular weight of 741.90 g/mol, XLogP of 9.99, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 162640205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).