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

C22H19ClN4O2 — CID 148816852

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

2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 148816852) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
• PubChem CID: 148816852
• Molecular Formula: C22H19ClN4O2
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.12
• IUPAC Name: 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
• SMILES: COc1cc(OCc2ccc(C)cn2)ccc1-c1cnc(-c2ccc(Cl)nc2)[nH]1
• InChI: InChI=1S/C22H19ClN4O2/c1-14-3-5-16(24-10-14)13-29-17-6-7-18(20(9-17)28-2)19-12-26-22(27-19)15-4-8-21(23)25-11-15/h3-12H,13H2,1-2H3,(H,26,27)
• InChIKey: OQZOWOBUBCRGIO-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	5.08
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-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine?

The IUPAC name of 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine (CID 148816852) is 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine.

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

The canonical SMILES for 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine is COc1cc(OCc2ccc(C)cn2)ccc1-c1cnc(-c2ccc(Cl)nc2)[nH]1.

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

The InChIKey is OQZOWOBUBCRGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-3-5-16(24-10-14)13-29-17-6-7-18(20(9-17)28-2)19-12-26-22(27-19)15-4-8-21(23)25-11-15/h3-12H,13H2,1-2H3,(H,26,27).

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

2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 406.87 g/mol, XLogP of 5.08, 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-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 148816852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).