3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride

C15H21Cl2N5 — CID 126467933

IUPAC3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)nc1n(CCN3CCCCC3)cnn21
InChIInChI=1S/C15H19N5.2ClH/c1-4-8-18(9-5-1)10-11-19-12-16-20-14-7-3-2-6-13(14)17-15(19)20;;/h2-3,6-7,12H,1,4-5,8-11H2;2*1H
InChIKeyYZHUAIXVIYJHOA-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.01
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride

3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride (PubChem CID 126467933) has the molecular formula C15H21Cl2N5 and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
PubChem CID126467933
Molecular FormulaC15H21Cl2N5
Molecular Weight342.27 g/mol
Exact Mass341.12
IUPAC Name3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)nc1n(CCN3CCCCC3)cnn21
InChIInChI=1S/C15H19N5.2ClH/c1-4-8-18(9-5-1)10-11-19-12-16-20-14-7-3-2-6-13(14)17-15(19)20;;/h2-3,6-7,12H,1,4-5,8-11H2;2*1H
InChIKeyYZHUAIXVIYJHOA-UHFFFAOYSA-N
XLogP3.01
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride (CID 126467933) is 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride is Cl.Cl.c1ccc2c(c1)nc1n(CCN3CCCCC3)cnn21.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
The InChIKey is YZHUAIXVIYJHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.2ClH/c1-4-8-18(9-5-1)10-11-19-12-16-20-14-7-3-2-6-13(14)17-15(19)20;;/h2-3,6-7,12H,1,4-5,8-11H2;2*1H.
What are the key properties of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride is sourced from PubChem (CID 126467933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).