2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

C19H22N4O3 — CID 120880664

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc2c(CC(=O)N3CCNCC3c3nccn3C)coc2c1
InChIInChI=1S/C19H22N4O3/c1-22-7-6-21-19(22)16-11-20-5-8-23(16)18(24)9-13-12-26-17-10-14(25-2)3-4-15(13)17/h3-4,6-7,10,12,16,20H,5,8-9,11H2,1-2H3
InChIKeyOYQJCCWGACAZQG-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds4

About 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 120880664) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID120880664
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc2c(CC(=O)N3CCNCC3c3nccn3C)coc2c1
InChIInChI=1S/C19H22N4O3/c1-22-7-6-21-19(22)16-11-20-5-8-23(16)18(24)9-13-12-26-17-10-14(25-2)3-4-15(13)17/h3-4,6-7,10,12,16,20H,5,8-9,11H2,1-2H3
InChIKeyOYQJCCWGACAZQG-UHFFFAOYSA-N
XLogP1.89
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 120736384
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877319
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879066
2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877315
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880841
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 120880664) is 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is COc1ccc2c(CC(=O)N3CCNCC3c3nccn3C)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is OYQJCCWGACAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-7-6-21-19(22)16-11-20-5-8-23(16)18(24)9-13-12-26-17-10-14(25-2)3-4-15(13)17/h3-4,6-7,10,12,16,20H,5,8-9,11H2,1-2H3.
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120880664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).