2-benzyl-4-piperazin-1-yl-1H-benzimidazole

C18H20N4 — CID 45488131

IUPAC2-benzyl-4-piperazin-1-yl-1H-benzimidazole
SMILESc1ccc(Cc2nc3c(N4CCNCC4)cccc3[nH]2)cc1
InChIInChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-17-20-15-7-4-8-16(18(15)21-17)22-11-9-19-10-12-22/h1-8,19H,9-13H2,(H,20,21)
InChIKeyYTVICZASURPPDE-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.56
Rot. Bonds3

About 2-benzyl-4-piperazin-1-yl-1H-benzimidazole

2-benzyl-4-piperazin-1-yl-1H-benzimidazole (PubChem CID 45488131) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-benzyl-4-piperazin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-4-piperazin-1-yl-1H-benzimidazole
PubChem CID45488131
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-benzyl-4-piperazin-1-yl-1H-benzimidazole
SMILESc1ccc(Cc2nc3c(N4CCNCC4)cccc3[nH]2)cc1
InChIInChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-17-20-15-7-4-8-16(18(15)21-17)22-11-9-19-10-12-22/h1-8,19H,9-13H2,(H,20,21)
InChIKeyYTVICZASURPPDE-UHFFFAOYSA-N
XLogP2.56
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-piperazin-1-yl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-piperazin-1-yl-1H-benzimidazole?
The IUPAC name of 2-benzyl-4-piperazin-1-yl-1H-benzimidazole (CID 45488131) is 2-benzyl-4-piperazin-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-4-piperazin-1-yl-1H-benzimidazole?
The canonical SMILES for 2-benzyl-4-piperazin-1-yl-1H-benzimidazole is c1ccc(Cc2nc3c(N4CCNCC4)cccc3[nH]2)cc1.
What is the InChIKey of 2-benzyl-4-piperazin-1-yl-1H-benzimidazole?
The InChIKey is YTVICZASURPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-17-20-15-7-4-8-16(18(15)21-17)22-11-9-19-10-12-22/h1-8,19H,9-13H2,(H,20,21).
What are the key properties of 2-benzyl-4-piperazin-1-yl-1H-benzimidazole?
2-benzyl-4-piperazin-1-yl-1H-benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-piperazin-1-yl-1H-benzimidazole is sourced from PubChem (CID 45488131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).