1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine

C22H26N4 — CID 154747305

IUPAC1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
SMILESc1ccc(CN2CCN(Cc3cncn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-3-7-20(8-4-1)16-24-11-13-25(14-12-24)18-22-15-23-19-26(22)17-21-9-5-2-6-10-21/h1-10,15,19H,11-14,16-18H2
InChIKeyVXXQCZAJOVMTAC-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.25
Rot. Bonds6

About 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine

1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine (PubChem CID 154747305) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
PubChem CID154747305
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
SMILESc1ccc(CN2CCN(Cc3cncn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-3-7-20(8-4-1)16-24-11-13-25(14-12-24)18-22-15-23-19-26(22)17-21-9-5-2-6-10-21/h1-10,15,19H,11-14,16-18H2
InChIKeyVXXQCZAJOVMTAC-UHFFFAOYSA-N
XLogP3.25
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]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

2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
6-[(3-benzylimidazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24912193
7-[(3-benzylimidazol-4-yl)methyl]-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136663596
1-benzyl-5-butylimidazole
CID 10059100
(3S,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50954019
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
4-[[5-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 21193215
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
CID 124846677
1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 124852106

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine (CID 154747305) is 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine is c1ccc(CN2CCN(Cc3cncn3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine?
The InChIKey is VXXQCZAJOVMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-7-20(8-4-1)16-24-11-13-25(14-12-24)18-22-15-23-19-26(22)17-21-9-5-2-6-10-21/h1-10,15,19H,11-14,16-18H2.
What are the key properties of 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine?
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine has a molecular weight of 346.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 154747305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).