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

C16H23Cl2N5 — CID 2866034

IUPAC2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
SMILESCc1nc2n(CCN3CCCCC3)c3ccccc3n2n1.Cl.Cl
InChIInChI=1S/C16H21N5.2ClH/c1-13-17-16-20(12-11-19-9-5-2-6-10-19)14-7-3-4-8-15(14)21(16)18-13;;/h3-4,7-8H,2,5-6,9-12H2,1H3;2*1H
InChIKeyOKHFVKTYWZPFNJ-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.32
Rot. Bonds3

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

2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride (PubChem CID 2866034) has the molecular formula C16H23Cl2N5 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
PubChem CID2866034
Molecular FormulaC16H23Cl2N5
Molecular Weight356.30 g/mol
Exact Mass355.13
IUPAC Name2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
SMILESCc1nc2n(CCN3CCCCC3)c3ccccc3n2n1.Cl.Cl
InChIInChI=1S/C16H21N5.2ClH/c1-13-17-16-20(12-11-19-9-5-2-6-10-19)14-7-3-4-8-15(14)21(16)18-13;;/h3-4,7-8H,2,5-6,9-12H2,1H3;2*1H
InChIKeyOKHFVKTYWZPFNJ-UHFFFAOYSA-N
XLogP3.32
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
The IUPAC name of 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride (CID 2866034) is 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride.
What is the SMILES notation for 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
The canonical SMILES for 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride is Cc1nc2n(CCN3CCCCC3)c3ccccc3n2n1.Cl.Cl.
What is the InChIKey of 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
The InChIKey is OKHFVKTYWZPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5.2ClH/c1-13-17-16-20(12-11-19-9-5-2-6-10-19)14-7-3-4-8-15(14)21(16)18-13;;/h3-4,7-8H,2,5-6,9-12H2,1H3;2*1H.
What are the key properties of 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride?
2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride is sourced from PubChem (CID 2866034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).