2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone

C24H22N2O2 — CID 2440121

IUPAC2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1coc2ccc3ccccc3c12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H22N2O2/c27-23(26-14-12-25(13-15-26)20-7-2-1-3-8-20)16-19-17-28-22-11-10-18-6-4-5-9-21(18)24(19)22/h1-11,17H,12-16H2
InChIKeyOFORGTFHDRMJKA-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.48
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone

2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2440121) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2440121
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1coc2ccc3ccccc3c12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H22N2O2/c27-23(26-14-12-25(13-15-26)20-7-2-1-3-8-20)16-19-17-28-22-11-10-18-6-4-5-9-21(18)24(19)22/h1-11,17H,12-16H2
InChIKeyOFORGTFHDRMJKA-UHFFFAOYSA-N
XLogP4.48
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone (CID 2440121) is 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cc1coc2ccc3ccccc3c12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is OFORGTFHDRMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23(26-14-12-25(13-15-26)20-7-2-1-3-8-20)16-19-17-28-22-11-10-18-6-4-5-9-21(18)24(19)22/h1-11,17H,12-16H2.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone?
2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 370.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2440121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).