2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride

C18H22ClN5O2 — CID 120869705

IUPAC2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H21N5O2.ClH/c1-21-8-7-20-16(21)15-12-19-6-9-22(15)10-11-23-17(24)13-4-2-3-5-14(13)18(23)25;/h2-5,7-8,15,19H,6,9-12H2,1H3;1H
InChIKeyVSRJZNZBSMNCFV-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride

2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride (PubChem CID 120869705) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
PubChem CID120869705
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H21N5O2.ClH/c1-21-8-7-20-16(21)15-12-19-6-9-22(15)10-11-23-17(24)13-4-2-3-5-14(13)18(23)25;/h2-5,7-8,15,19H,6,9-12H2,1H3;1H
InChIKeyVSRJZNZBSMNCFV-UHFFFAOYSA-N
XLogP1.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911751
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 120869854
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120871068
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
CID 120869765
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120871028
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride (CID 120869705) is 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is VSRJZNZBSMNCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.ClH/c1-21-8-7-20-16(21)15-12-19-6-9-22(15)10-11-23-17(24)13-4-2-3-5-14(13)18(23)25;/h2-5,7-8,15,19H,6,9-12H2,1H3;1H.
What are the key properties of 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride?
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 120869705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).