1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine

C23H28N4 — CID 19106707

IUPAC1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
SMILESCc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)c(C)[nH]2)cc1
InChIInChI=1S/C23H28N4/c1-18-8-10-21(11-9-18)23-24-19(2)22(25-23)17-27-14-12-26(13-15-27)16-20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,24,25)
InChIKeyKVBWOMAJAWGLFJ-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.01
Rot. Bonds5

About 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine

1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine (PubChem CID 19106707) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
PubChem CID19106707
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
SMILESCc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)c(C)[nH]2)cc1
InChIInChI=1S/C23H28N4/c1-18-8-10-21(11-9-18)23-24-19(2)22(25-23)17-27-14-12-26(13-15-27)16-20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,24,25)
InChIKeyKVBWOMAJAWGLFJ-UHFFFAOYSA-N
XLogP4.01
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
The IUPAC name of 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine (CID 19106707) is 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine is Cc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)c(C)[nH]2)cc1.
What is the InChIKey of 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
The InChIKey is KVBWOMAJAWGLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-18-8-10-21(11-9-18)23-24-19(2)22(25-23)17-27-14-12-26(13-15-27)16-20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,24,25).
What are the key properties of 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine has a molecular weight of 360.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine is sourced from PubChem (CID 19106707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).