2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one

C19H22N4O2 — CID 120879558

IUPAC2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCNCC1c1nccn1C)c1cc2ccccc2o1
InChIInChI=1S/C19H22N4O2/c1-13(17-11-14-5-3-4-6-16(14)25-17)19(24)23-10-7-20-12-15(23)18-21-8-9-22(18)2/h3-6,8-9,11,13,15,20H,7,10,12H2,1-2H3
InChIKeyPCPVFFZDBLRNIE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one

2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 120879558) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID120879558
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCNCC1c1nccn1C)c1cc2ccccc2o1
InChIInChI=1S/C19H22N4O2/c1-13(17-11-14-5-3-4-6-16(14)25-17)19(24)23-10-7-20-12-15(23)18-21-8-9-22(18)2/h3-6,8-9,11,13,15,20H,7,10,12H2,1-2H3
InChIKeyPCPVFFZDBLRNIE-UHFFFAOYSA-N
XLogP2.44
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one 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-benzofuran-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877663
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one;hydrochloride
CID 120877675
2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878687
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879116
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120878619
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 120878210
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120878290
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
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-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one (CID 120879558) is 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCNCC1c1nccn1C)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PCPVFFZDBLRNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(17-11-14-5-3-4-6-16(14)25-17)19(24)23-10-7-20-12-15(23)18-21-8-9-22(18)2/h3-6,8-9,11,13,15,20H,7,10,12H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120879558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).