1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine

C15H18Cl2N4 — CID 120870214

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N4/c1-20-7-6-19-15(20)14-9-18-5-8-21(14)10-11-12(16)3-2-4-13(11)17/h2-4,6-7,14,18H,5,8-10H2,1H3
InChIKeyDTVHOXJUSIDUEF-UHFFFAOYSA-N
MW325.24 g/mol
LogP2.87
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine

1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120870214) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120870214
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1C1CNCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N4/c1-20-7-6-19-15(20)14-9-18-5-8-21(14)10-11-12(16)3-2-4-13(11)17/h2-4,6-7,14,18H,5,8-10H2,1H3
InChIKeyDTVHOXJUSIDUEF-UHFFFAOYSA-N
XLogP2.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine 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-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911954
1-[(5-bromo-2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871243
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912501
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine (CID 120870214) is 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1C1CNCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is DTVHOXJUSIDUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-20-7-6-19-15(20)14-9-18-5-8-21(14)10-11-12(16)3-2-4-13(11)17/h2-4,6-7,14,18H,5,8-10H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine?
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 325.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120870214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).