2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine

C₃₀H₂₈N₆O — CID 140731099

About 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine

2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine (PubChem CID 140731099) has the molecular formula C₃₀H₂₈N₆O and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine.

Molecular Properties

• Compound Name: 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine
• PubChem CID: 140731099
• Molecular Formula: C₃₀H₂₈N₆O
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.23
• IUPAC Name: 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine
• SMILES: CN1C=C(c2ccccn2)N(c2cccc(Oc3cccc(N4CN(C)C=C4c4ccccn4)c3)c2)C1
• InChI: InChI=1S/C30H28N6O/c1-33-19-29(27-13-3-5-15-31-27)35(21-33)23-9-7-11-25(17-23)37-26-12-8-10-24(18-26)36-22-34(2)20-30(36)28-14-4-6-16-32-28/h3-20H,21-22H2,1-2H3
• InChIKey: PTDZUJGZWMTDFY-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 47.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine?

The IUPAC name of 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine (CID 140731099) is 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine.

What is the SMILES notation for 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine?

The canonical SMILES for 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine is CN1C=C(c2ccccn2)N(c2cccc(Oc3cccc(N4CN(C)C=C4c4ccccn4)c3)c2)C1.

What is the InChIKey of 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine?

The InChIKey is PTDZUJGZWMTDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-33-19-29(27-13-3-5-15-31-27)35(21-33)23-9-7-11-25(17-23)37-26-12-8-10-24(18-26)36-22-34(2)20-30(36)28-14-4-6-16-32-28/h3-20H,21-22H2,1-2H3.

What are the key properties of 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine?

2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine has a molecular weight of 488.60 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine is sourced from PubChem (CID 140731099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140731099 — identifiers, structure, computed properties (public domain)

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