3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride

C14H20Cl3N5 — CID 12841601

IUPAC3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride
SMILESCl.Cl.Clc1cn2c3c(nc2c(N2CCNCC2)n1)CCCC3
InChIInChI=1S/C14H18ClN5.2ClH/c15-12-9-20-11-4-2-1-3-10(11)17-14(20)13(18-12)19-7-5-16-6-8-19;;/h9,16H,1-8H2;2*1H
InChIKeyFHOWTXRYKYPVBO-UHFFFAOYSA-N
MW364.71 g/mol
LogP2.51
Rot. Bonds1

About 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride

3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride (PubChem CID 12841601) has the molecular formula C14H20Cl3N5 and a molecular weight of 364.71 g/mol. Its IUPAC name is 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride
PubChem CID12841601
Molecular FormulaC14H20Cl3N5
Molecular Weight364.71 g/mol
Exact Mass363.08
IUPAC Name3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride
SMILESCl.Cl.Clc1cn2c3c(nc2c(N2CCNCC2)n1)CCCC3
InChIInChI=1S/C14H18ClN5.2ClH/c15-12-9-20-11-4-2-1-3-10(11)17-14(20)13(18-12)19-7-5-16-6-8-19;;/h9,16H,1-8H2;2*1H
InChIKeyFHOWTXRYKYPVBO-UHFFFAOYSA-N
XLogP2.51
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride 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 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride?
The IUPAC name of 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride (CID 12841601) is 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride.
What is the SMILES notation for 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride?
The canonical SMILES for 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride is Cl.Cl.Clc1cn2c3c(nc2c(N2CCNCC2)n1)CCCC3.
What is the InChIKey of 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride?
The InChIKey is FHOWTXRYKYPVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5.2ClH/c15-12-9-20-11-4-2-1-3-10(11)17-14(20)13(18-12)19-7-5-16-6-8-19;;/h9,16H,1-8H2;2*1H.
What are the key properties of 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride?
3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride has a molecular weight of 364.71 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-piperazin-1-yl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole;dihydrochloride is sourced from PubChem (CID 12841601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).