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

C23H21ClN4O2 — CID 158183064

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

2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine (PubChem CID 158183064) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine
• PubChem CID: 158183064
• Molecular Formula: C23H21ClN4O2
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.14
• IUPAC Name: 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine
• SMILES: COc1cc(OCc2ccc(C)cn2)ccc1-c1cn(C)c(-c2ccc(Cl)nc2)n1
• InChI: InChI=1S/C23H21ClN4O2/c1-15-4-6-17(25-11-15)14-30-18-7-8-19(21(10-18)29-3)20-13-28(2)23(27-20)16-5-9-22(24)26-12-16/h4-13H,14H2,1-3H3
• InChIKey: FYVFIYYCJZJBLU-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine?

The IUPAC name of 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine (CID 158183064) is 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine.

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

The canonical SMILES for 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine is COc1cc(OCc2ccc(C)cn2)ccc1-c1cn(C)c(-c2ccc(Cl)nc2)n1.

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

The InChIKey is FYVFIYYCJZJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-4-6-17(25-11-15)14-30-18-7-8-19(21(10-18)29-3)20-13-28(2)23(27-20)16-5-9-22(24)26-12-16/h4-13H,14H2,1-3H3.

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

2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine has a molecular weight of 420.90 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1-methylimidazol-2-yl]pyridine is sourced from PubChem (CID 158183064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).