2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole

C46H32FN9 — CID 155185995

About 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole

2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole (PubChem CID 155185995) has the molecular formula C46H32FN9 and a molecular weight of 729.82 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
• PubChem CID: 155185995
• Molecular Formula: C46H32FN9
• Molecular Weight: 729.82 g/mol
• Exact Mass: 729.28
• IUPAC Name: 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
• SMILES: CC1CC=Cc2c1nc(-c1ccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(-c5nc6ccccc6n5-c5ccncc5)cc4)n3)cc1)n2-c1ccncc1
• InChI: InChI=1S/C46H32FN9/c1-29-5-4-8-40-41(29)51-46(56(40)37-23-27-49-28-24-37)34-15-11-31(12-16-34)43-52-42(53-44(54-43)32-17-19-35(47)20-18-32)30-9-13-33(14-10-30)45-50-38-6-2-3-7-39(38)55(45)36-21-25-48-26-22-36/h2-4,6-29H,5H2,1H3
• InChIKey: FFHJWZYNYYSSSJ-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 100.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.82
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?

The IUPAC name of 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole (CID 155185995) is 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole.

What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?

The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole is CC1CC=Cc2c1nc(-c1ccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(-c5nc6ccccc6n5-c5ccncc5)cc4)n3)cc1)n2-c1ccncc1.

What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?

The InChIKey is FFHJWZYNYYSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32FN9/c1-29-5-4-8-40-41(29)51-46(56(40)37-23-27-49-28-24-37)34-15-11-31(12-16-34)43-52-42(53-44(54-43)32-17-19-35(47)20-18-32)30-9-13-33(14-10-30)45-50-38-6-2-3-7-39(38)55(45)36-21-25-48-26-22-36/h2-4,6-29H,5H2,1H3.

What are the key properties of 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole?

2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole has a molecular weight of 729.82 g/mol, XLogP of 10.18, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(4-fluorophenyl)-6-[4-(4-methyl-1-pyridin-4-yl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 155185995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).