2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride

C13H21Cl3N4S — CID 10384617

IUPAC2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride
SMILESCl.Cl.Cl.c1ccc2[nH]c(SCCN3CCNCC3)nc2c1
InChIInChI=1S/C13H18N4S.3ClH/c1-2-4-12-11(3-1)15-13(16-12)18-10-9-17-7-5-14-6-8-17;;;/h1-4,14H,5-10H2,(H,15,16);3*1H
InChIKeyWOBHYFMVZWBIGN-UHFFFAOYSA-N
MW371.77 g/mol
LogP2.83
Rot. Bonds4

About 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride

2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride (PubChem CID 10384617) has the molecular formula C13H21Cl3N4S and a molecular weight of 371.77 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride
PubChem CID10384617
Molecular FormulaC13H21Cl3N4S
Molecular Weight371.77 g/mol
Exact Mass370.06
IUPAC Name2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride
SMILESCl.Cl.Cl.c1ccc2[nH]c(SCCN3CCNCC3)nc2c1
InChIInChI=1S/C13H18N4S.3ClH/c1-2-4-12-11(3-1)15-13(16-12)18-10-9-17-7-5-14-6-8-17;;;/h1-4,14H,5-10H2,(H,15,16);3*1H
InChIKeyWOBHYFMVZWBIGN-UHFFFAOYSA-N
XLogP2.83
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride?
The IUPAC name of 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride (CID 10384617) is 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride.
What is the SMILES notation for 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride?
The canonical SMILES for 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride is Cl.Cl.Cl.c1ccc2[nH]c(SCCN3CCNCC3)nc2c1.
What is the InChIKey of 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride?
The InChIKey is WOBHYFMVZWBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S.3ClH/c1-2-4-12-11(3-1)15-13(16-12)18-10-9-17-7-5-14-6-8-17;;;/h1-4,14H,5-10H2,(H,15,16);3*1H.
What are the key properties of 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride?
2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride has a molecular weight of 371.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride is sourced from PubChem (CID 10384617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).