6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

C28H27N3O2 — CID 10296825

About 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one

6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10296825) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

• Compound Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
• PubChem CID: 10296825
• Molecular Formula: C28H27N3O2
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.21
• IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
• SMILES: O=C1CCCc2c1ccc(OC(Cn1ccnc1)c1ccccc1)c2CCc1cccnc1
• InChI: InChI=1S/C28H27N3O2/c32-26-10-4-9-23-24(26)13-14-27(25(23)12-11-21-6-5-15-29-18-21)33-28(19-31-17-16-30-20-31)22-7-2-1-3-8-22/h1-3,5-8,13-18,20,28H,4,9-12,19H2
• InChIKey: XAZGDHYQINZPDI-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 57.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?

The IUPAC name of 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 10296825) is 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one.

What is the SMILES notation for 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?

The canonical SMILES for 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c1ccc(OC(Cn1ccnc1)c1ccccc1)c2CCc1cccnc1.

What is the InChIKey of 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?

The InChIKey is XAZGDHYQINZPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-26-10-4-9-23-24(26)13-14-27(25(23)12-11-21-6-5-15-29-18-21)33-28(19-31-17-16-30-20-31)22-7-2-1-3-8-22/h1-3,5-8,13-18,20,28H,4,9-12,19H2.

What are the key properties of 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one?

6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 437.54 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10296825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).