2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride

C14H20ClN3S — CID 126475917

IUPAC2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride
SMILESCl.c1ccc2[nH]c(SCCN3CCCCC3)nc2c1
InChIInChI=1S/C14H19N3S.ClH/c1-4-8-17(9-5-1)10-11-18-14-15-12-6-2-3-7-13(12)16-14;/h2-3,6-7H,1,4-5,8-11H2,(H,15,16);1H
InChIKeyMDNCUXABKZWMON-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride

2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride (PubChem CID 126475917) has the molecular formula C14H20ClN3S and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride
PubChem CID126475917
Molecular FormulaC14H20ClN3S
Molecular Weight297.85 g/mol
Exact Mass297.11
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride
SMILESCl.c1ccc2[nH]c(SCCN3CCCCC3)nc2c1
InChIInChI=1S/C14H19N3S.ClH/c1-4-8-17(9-5-1)10-11-18-14-15-12-6-2-3-7-13(12)16-14;/h2-3,6-7H,1,4-5,8-11H2,(H,15,16);1H
InChIKeyMDNCUXABKZWMON-UHFFFAOYSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;bis(2,2,2-trifluoroacetic acid)
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2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
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2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
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2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(6-methyl-2,4-dipyrrolidin-1-yl-3-pyridinyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride (CID 126475917) is 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride is Cl.c1ccc2[nH]c(SCCN3CCCCC3)nc2c1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride?
The InChIKey is MDNCUXABKZWMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S.ClH/c1-4-8-17(9-5-1)10-11-18-14-15-12-6-2-3-7-13(12)16-14;/h2-3,6-7H,1,4-5,8-11H2,(H,15,16);1H.
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride?
2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 126475917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).