5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

C29H28N2O2 — CID 10225020

IUPAC5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c1ccc(OCCn1cncc1Cc1ccccc1)c2Cc1ccccc1
InChIInChI=1S/C29H28N2O2/c32-28-13-7-12-25-26(28)14-15-29(27(25)19-23-10-5-2-6-11-23)33-17-16-31-21-30-20-24(31)18-22-8-3-1-4-9-22/h1-6,8-11,14-15,20-21H,7,12-13,16-19H2
InChIKeyXLWJTOVIUZPREN-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.66
Rot. Bonds8

About 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10225020) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10225020
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c1ccc(OCCn1cncc1Cc1ccccc1)c2Cc1ccccc1
InChIInChI=1S/C29H28N2O2/c32-28-13-7-12-25-26(28)14-15-29(27(25)19-23-10-5-2-6-11-23)33-17-16-31-21-30-20-24(31)18-22-8-3-1-4-9-22/h1-6,8-11,14-15,20-21H,7,12-13,16-19H2
InChIKeyXLWJTOVIUZPREN-UHFFFAOYSA-N
XLogP5.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 10225020) is 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c1ccc(OCCn1cncc1Cc1ccccc1)c2Cc1ccccc1.
What is the InChIKey of 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XLWJTOVIUZPREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c32-28-13-7-12-25-26(28)14-15-29(27(25)19-23-10-5-2-6-11-23)33-17-16-31-21-30-20-24(31)18-22-8-3-1-4-9-22/h1-6,8-11,14-15,20-21H,7,12-13,16-19H2.
What are the key properties of 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 436.56 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10225020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).