1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole

C18H19ClN4 — CID 10806082

IUPAC1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole
SMILESClc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1
InChIInChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2
InChIKeyRDAXAGXJSCEYLT-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.15
Rot. Bonds3

About 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole

1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole (PubChem CID 10806082) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole
PubChem CID10806082
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole
SMILESClc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1
InChIInChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2
InChIKeyRDAXAGXJSCEYLT-UHFFFAOYSA-N
XLogP3.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole 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 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole (CID 10806082) is 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole is Clc1ccc2c(c1)nc(N1CCNCC1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole?
The InChIKey is RDAXAGXJSCEYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2.
What are the key properties of 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole?
1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole has a molecular weight of 326.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 10806082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).