6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C31H24F2N10O2 — CID 155523579

About 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155523579) has the molecular formula C31H24F2N10O2 and a molecular weight of 606.60 g/mol. Its IUPAC name is 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
• PubChem CID: 155523579
• Molecular Formula: C31H24F2N10O2
• Molecular Weight: 606.60 g/mol
• Exact Mass: 606.21
• IUPAC Name: 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
• SMILES: Fc1ccc2nc(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccc(F)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2c1
• InChI: InChI=1S/C31H24F2N10O2/c32-18-4-8-24-26(12-18)36-30(34-24)28-10-6-22(44-28)16-42-14-20(38-40-42)2-1-3-21-15-43(41-39-21)17-23-7-11-29(45-23)31-35-25-9-5-19(33)13-27(25)37-31/h4-15H,1-3,16-17H2,(H,34,36)(H,35,37)
• InChIKey: KDIXODDPSVPURE-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 145.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.60
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

The IUPAC name of 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155523579) is 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

What is the SMILES notation for 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

The canonical SMILES for 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is Fc1ccc2nc(-c3ccc(Cn4cc(CCCc5cn(Cc6ccc(-c7nc8ccc(F)cc8[nH]7)o6)nn5)nn4)o3)[nH]c2c1.

What is the InChIKey of 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

The InChIKey is KDIXODDPSVPURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N10O2/c32-18-4-8-24-26(12-18)36-30(34-24)28-10-6-22(44-28)16-42-14-20(38-40-42)2-1-3-21-15-43(41-39-21)17-23-7-11-29(45-23)31-35-25-9-5-19(33)13-27(25)37-31/h4-15H,1-3,16-17H2,(H,34,36)(H,35,37).

What are the key properties of 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?

6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 606.60 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 155523579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).