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

C28H26N4O2 — CID 71525021

IUPAC6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)cccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=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)
InChIKeyYWRJKORZQLKNOF-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.60
Rot. Bonds7

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 Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol
PubChem CID71525021
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]naphthalen-1-ol
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(O)cccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=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)
InChIKeyYWRJKORZQLKNOF-UHFFFAOYSA-N
XLogP5.60
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).