2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine

C22H17Cl2FN4O2 — CID 158864061

About 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine

2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine (PubChem CID 158864061) has the molecular formula C22H17Cl2FN4O2 and a molecular weight of 459.31 g/mol. Its IUPAC name is 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine.

Molecular Properties

• Compound Name: 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine
• PubChem CID: 158864061
• Molecular Formula: C22H17Cl2FN4O2
• Molecular Weight: 459.31 g/mol
• Exact Mass: 458.07
• IUPAC Name: 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine
• SMILES: COc1cc(OCc2ncc(C)cc2F)ccc1-c1nc(-c2ccc(Cl)nc2)[nH]c1Cl
• InChI: InChI=1S/C22H17Cl2FN4O2/c1-12-7-16(25)17(26-9-12)11-31-14-4-5-15(18(8-14)30-2)20-21(24)29-22(28-20)13-3-6-19(23)27-10-13/h3-10H,11H2,1-2H3,(H,28,29)
• InChIKey: JAZSTOOIZSDGDZ-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.31
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine (CID 158864061) is 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine.

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

The canonical SMILES for 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine is COc1cc(OCc2ncc(C)cc2F)ccc1-c1nc(-c2ccc(Cl)nc2)[nH]c1Cl.

What is the InChIKey of 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine?

The InChIKey is JAZSTOOIZSDGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN4O2/c1-12-7-16(25)17(26-9-12)11-31-14-4-5-15(18(8-14)30-2)20-21(24)29-22(28-20)13-3-6-19(23)27-10-13/h3-10H,11H2,1-2H3,(H,28,29).

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

2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine has a molecular weight of 459.31 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine is sourced from PubChem (CID 158864061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).