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

C51H45N9 — CID 139200745

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

2-pyridin-2-yl-1-[[2,4,6-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (PubChem CID 139200745) has the molecular formula C51H45N9 and a molecular weight of 783.98 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[[2,4,6-triethyl-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-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• PubChem CID: 139200745
• Molecular Formula: C51H45N9
• Molecular Weight: 783.98 g/mol
• Exact Mass: 783.38
• IUPAC Name: 2-pyridin-2-yl-1-[[2,4,6-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• SMILES: CCc1c(Cn2c(-c3ccccn3)nc3ccccc32)c(CC)c(Cn2c(-c3ccccn3)nc3ccccc32)c(CC)c1Cn1c(-c2ccccn2)nc2ccccc21
• InChI: InChI=1S/C51H45N9/c1-4-34-37(31-58-46-25-10-7-19-40(46)55-49(58)43-22-13-16-28-52-43)35(5-2)39(33-60-48-27-12-9-21-42(48)57-51(60)45-24-15-18-30-54-45)36(6-3)38(34)32-59-47-26-11-8-20-41(47)56-50(59)44-23-14-17-29-53-44/h7-30H,4-6,31-33H2,1-3H3
• InChIKey: HGDZQWVVKUSRMI-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.98
LogP ≤ 5	10.75
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-triethyl-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-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (CID 139200745) is 2-pyridin-2-yl-1-[[2,4,6-triethyl-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-triethyl-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-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is CCc1c(Cn2c(-c3ccccn3)nc3ccccc32)c(CC)c(Cn2c(-c3ccccn3)nc3ccccc32)c(CC)c1Cn1c(-c2ccccn2)nc2ccccc21.

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

The InChIKey is HGDZQWVVKUSRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N9/c1-4-34-37(31-58-46-25-10-7-19-40(46)55-49(58)43-22-13-16-28-52-43)35(5-2)39(33-60-48-27-12-9-21-42(48)57-51(60)45-24-15-18-30-54-45)36(6-3)38(34)32-59-47-26-11-8-20-41(47)56-50(59)44-23-14-17-29-53-44/h7-30H,4-6,31-33H2,1-3H3.

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

2-pyridin-2-yl-1-[[2,4,6-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole has a molecular weight of 783.98 g/mol, XLogP of 10.75, 12 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-triethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 139200745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).