2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine

C22H15Cl2F3N4O2 — CID 129304395

About 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine

2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 129304395) has the molecular formula C22H15Cl2F3N4O2 and a molecular weight of 495.29 g/mol. Its IUPAC name is 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
• PubChem CID: 129304395
• Molecular Formula: C22H15Cl2F3N4O2
• Molecular Weight: 495.29 g/mol
• Exact Mass: 494.05
• IUPAC Name: 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
• SMILES: COc1cc(OCc2ncccc2C(F)(F)F)ccc1-c1nc(-c2ccc(Cl)nc2)[nH]c1Cl
• InChI: InChI=1S/C22H15Cl2F3N4O2/c1-32-17-9-13(33-11-16-15(22(25,26)27)3-2-8-28-16)5-6-14(17)19-20(24)31-21(30-19)12-4-7-18(23)29-10-12/h2-10H,11H2,1H3,(H,30,31)
• InChIKey: MYOCVWCFZCRASZ-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.29
LogP ≤ 5	6.45
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-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The IUPAC name of 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine (CID 129304395) is 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine.

What is the SMILES notation for 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The canonical SMILES for 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine is COc1cc(OCc2ncccc2C(F)(F)F)ccc1-c1nc(-c2ccc(Cl)nc2)[nH]c1Cl.

What is the InChIKey of 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The InChIKey is MYOCVWCFZCRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N4O2/c1-32-17-9-13(33-11-16-15(22(25,26)27)3-2-8-28-16)5-6-14(17)19-20(24)31-21(30-19)12-4-7-18(23)29-10-12/h2-10H,11H2,1H3,(H,30,31).

What are the key properties of 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?

2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 495.29 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 129304395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).