6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

C26H19FN8 — CID 59160543

About 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline

6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 59160543) has the molecular formula C26H19FN8 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

• Compound Name: 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
• PubChem CID: 59160543
• Molecular Formula: C26H19FN8
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.17
• IUPAC Name: 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
• SMILES: Cc1cccc(-c2[nH]c(Cc3ccc(F)c(-c4nn[nH]n4)c3)nc2-c2ccc3ncccc3c2)n1
• InChI: InChI=1S/C26H19FN8/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-20(27)19(12-16)26-32-34-35-33-26/h2-12,14H,13H2,1H3,(H,30,31)(H,32,33,34,35)
• InChIKey: NUOODYCXSYUSIV-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

The IUPAC name of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 59160543) is 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

What is the SMILES notation for 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

The canonical SMILES for 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(-c4nn[nH]n4)c3)nc2-c2ccc3ncccc3c2)n1.

What is the InChIKey of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

The InChIKey is NUOODYCXSYUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-20(27)19(12-16)26-32-34-35-33-26/h2-12,14H,13H2,1H3,(H,30,31)(H,32,33,34,35).

What are the key properties of 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 462.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 59160543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).