1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole

C18H18Cl2N4 — CID 10498784

IUPAC1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole
SMILESClc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl
InChIInChI=1S/C18H18Cl2N4/c19-14-10-16-17(11-15(14)20)24(12-13-4-2-1-3-5-13)18(22-16)23-8-6-21-7-9-23/h1-5,10-11,21H,6-9,12H2
InChIKeyXFUOIMWLAPSVGQ-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.80
Rot. Bonds3

About 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole

1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole (PubChem CID 10498784) has the molecular formula C18H18Cl2N4 and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole
PubChem CID10498784
Molecular FormulaC18H18Cl2N4
Molecular Weight361.28 g/mol
Exact Mass360.09
IUPAC Name1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole
SMILESClc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl
InChIInChI=1S/C18H18Cl2N4/c19-14-10-16-17(11-15(14)20)24(12-13-4-2-1-3-5-13)18(22-16)23-8-6-21-7-9-23/h1-5,10-11,21H,6-9,12H2
InChIKeyXFUOIMWLAPSVGQ-UHFFFAOYSA-N
XLogP3.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5,6-dichloro-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-5,6-dichloro-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole (CID 10498784) is 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole is Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl.
What is the InChIKey of 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole?
The InChIKey is XFUOIMWLAPSVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4/c19-14-10-16-17(11-15(14)20)24(12-13-4-2-1-3-5-13)18(22-16)23-8-6-21-7-9-23/h1-5,10-11,21H,6-9,12H2.
What are the key properties of 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole?
1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole has a molecular weight of 361.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dichloro-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 10498784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).