3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

C25H19N3O2 — CID 57341687

IUPAC3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
SMILESCOc1ccc2cc(-c3nc(-c4cccc(O)c4)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C25H19N3O2/c1-30-22-8-7-17-13-19(6-5-18(17)15-22)24-23(16-9-11-26-12-10-16)27-25(28-24)20-3-2-4-21(29)14-20/h2-15,29H,1H3,(H,27,28)
InChIKeyCVEDIAKOSSQLDG-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.67
Rot. Bonds4

About 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol (PubChem CID 57341687) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
PubChem CID57341687
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
SMILESCOc1ccc2cc(-c3nc(-c4cccc(O)c4)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C25H19N3O2/c1-30-22-8-7-17-13-19(6-5-18(17)15-22)24-23(16-9-11-26-12-10-16)27-25(28-24)20-3-2-4-21(29)14-20/h2-15,29H,1H3,(H,27,28)
InChIKeyCVEDIAKOSSQLDG-UHFFFAOYSA-N
XLogP5.67
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol (CID 57341687) is 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol is COc1ccc2cc(-c3nc(-c4cccc(O)c4)[nH]c3-c3ccncc3)ccc2c1.
What is the InChIKey of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
The InChIKey is CVEDIAKOSSQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-30-22-8-7-17-13-19(6-5-18(17)15-22)24-23(16-9-11-26-12-10-16)27-25(28-24)20-3-2-4-21(29)14-20/h2-15,29H,1H3,(H,27,28).
What are the key properties of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol?
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol has a molecular weight of 393.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 57341687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).