1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine

C17H24N4 — CID 18685205

IUPAC1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine
SMILESCc1ncc(CN2CCN(C)CC2)n1Cc1ccccc1
InChIInChI=1S/C17H24N4/c1-15-18-12-17(14-20-10-8-19(2)9-11-20)21(15)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyXIBOSJUEDSFCQY-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.99
Rot. Bonds4

About 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine

1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine (PubChem CID 18685205) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine
PubChem CID18685205
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine
SMILESCc1ncc(CN2CCN(C)CC2)n1Cc1ccccc1
InChIInChI=1S/C17H24N4/c1-15-18-12-17(14-20-10-8-19(2)9-11-20)21(15)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyXIBOSJUEDSFCQY-UHFFFAOYSA-N
XLogP1.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
[4-[(2-isocyanophenyl)methyl]-1-[[3-[(4-isocyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]piperidin-4-yl]methanol
CID 20664654
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 20791675
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
[2-(trifluoromethoxy)phenyl] 4-[[3-[(4-cyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]piperazine-1-carboxylate
CID 102463599
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
bis(1-benzyl-4-methylpiperazine);ethane;methanol;methoxyethane;propane
CID 162104862
3-[(4-methylpiperazin-1-yl)methyl]-7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747058
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine (CID 18685205) is 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine is Cc1ncc(CN2CCN(C)CC2)n1Cc1ccccc1.
What is the InChIKey of 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine?
The InChIKey is XIBOSJUEDSFCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-15-18-12-17(14-20-10-8-19(2)9-11-20)21(15)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine?
1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 18685205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).