1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C17H23ClN4O — CID 120912365

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H22N4O.ClH/c1-20-7-6-19-17(20)15-11-18-5-8-21(15)12-13-2-3-16-14(10-13)4-9-22-16;/h2-3,6-7,10,15,18H,4-5,8-9,11-12H2,1H3;1H
InChIKeyXPUVAMVQAHDXEJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP1.92
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120912365) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120912365
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H22N4O.ClH/c1-20-7-6-19-17(20)15-11-18-5-8-21(15)12-13-2-3-16-14(10-13)4-9-22-16;/h2-3,6-7,10,15,18H,4-5,8-9,11-12H2,1H3;1H
InChIKeyXPUVAMVQAHDXEJ-UHFFFAOYSA-N
XLogP1.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride 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-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912449
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895075
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
1-[(4-chloro-3-nitrophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911725
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912269
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120912365) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is XPUVAMVQAHDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-20-7-6-19-17(20)15-11-18-5-8-21(15)12-13-2-3-16-14(10-13)4-9-22-16;/h2-3,6-7,10,15,18H,4-5,8-9,11-12H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120912365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).