2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride

C19H29ClN4O — CID 120911839

IUPAC2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCC(C)COc1ccc(CN2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-15(2)14-24-17-6-4-16(5-7-17)13-23-11-8-20-12-18(23)19-21-9-10-22(19)3;/h4-7,9-10,15,18,20H,8,11-14H2,1-3H3;1H
InChIKeyGMLHVJRPBPJKAZ-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.02
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 120911839) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID120911839
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCC(C)COc1ccc(CN2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-15(2)14-24-17-6-4-16(5-7-17)13-23-11-8-20-12-18(23)19-21-9-10-22(19)3;/h4-7,9-10,15,18,20H,8,11-14H2,1-3H3;1H
InChIKeyGMLHVJRPBPJKAZ-UHFFFAOYSA-N
XLogP3.02
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
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
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
CID 120912226
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride (CID 120911839) is 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride is CC(C)COc1ccc(CN2CCNCC2c2nccn2C)cc1.Cl.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is GMLHVJRPBPJKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.ClH/c1-15(2)14-24-17-6-4-16(5-7-17)13-23-11-8-20-12-18(23)19-21-9-10-22(19)3;/h4-7,9-10,15,18,20H,8,11-14H2,1-3H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120911839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).