6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol

C₂₈H₂₆N₄O₂ — CID 71525021

About 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol (PubChem CID 71525021) has the molecular formula C₂₈H₂₆N₄O₂ and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol.

Molecular Properties

• Compound Name: 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol
• PubChem CID: 71525021
• Molecular Formula: C₂₈H₂₆N₄O₂
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.21
• IUPAC Name: 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol
• SMILES: CN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)cccc4c3)c(-c3ccncc3)[nH]2)cc1
• InChI: InChI=1S/C28H26N4O2/c1-32(2)16-17-34-23-9-6-20(7-10-23)28-30-26(19-12-14-29-15-13-19)27(31-28)22-8-11-24-21(18-22)4-3-5-25(24)33/h3-15,18,33H,16-17H2,1-2H3,(H,30,31)
• InChIKey: YWRJKORZQLKNOF-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol?

The IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol (CID 71525021) is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol.

What is the SMILES notation for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol?

The canonical SMILES for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol is CN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)cccc4c3)c(-c3ccncc3)[nH]2)cc1.

What is the InChIKey of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol?

The InChIKey is YWRJKORZQLKNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-32(2)16-17-34-23-9-6-20(7-10-23)28-30-26(19-12-14-29-15-13-19)27(31-28)22-8-11-24-21(18-22)4-3-5-25(24)33/h3-15,18,33H,16-17H2,1-2H3,(H,30,31).

What are the key properties of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol?

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol has a molecular weight of 450.54 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol is sourced from PubChem (CID 71525021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71525021 — identifiers, structure, computed properties (public domain)

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