2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone

C24H28N4O3 — CID 25285023

IUPAC2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-3-30-21-8-10-22(11-9-21)31-18-23(29)26-14-16-27(17-15-26)24-25-12-13-28(24)20-6-4-19(2)5-7-20/h4-13H,3,14-18H2,1-2H3
InChIKeyXFKYGJGCBYAXQQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone

2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 25285023) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
PubChem CID25285023
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-3-30-21-8-10-22(11-9-21)31-18-23(29)26-14-16-27(17-15-26)24-25-12-13-28(24)20-6-4-19(2)5-7-20/h4-13H,3,14-18H2,1-2H3
InChIKeyXFKYGJGCBYAXQQ-UHFFFAOYSA-N
XLogP3.31
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone (CID 25285023) is 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone is CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is XFKYGJGCBYAXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-30-21-8-10-22(11-9-21)31-18-23(29)26-14-16-27(17-15-26)24-25-12-13-28(24)20-6-4-19(2)5-7-20/h4-13H,3,14-18H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone?
2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 420.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 25285023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).