1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride

C14H21Cl2N3O — CID 161221509

IUPAC1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)ncn2OCCN1CCCCC1
InChIInChI=1S/C14H19N3O.2ClH/c1-4-8-16(9-5-1)10-11-18-17-12-15-13-6-2-3-7-14(13)17;;/h2-3,6-7,12H,1,4-5,8-11H2;2*1H
InChIKeyUXONJAGJLMBCGF-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride

1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride (PubChem CID 161221509) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride
PubChem CID161221509
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)ncn2OCCN1CCCCC1
InChIInChI=1S/C14H19N3O.2ClH/c1-4-8-16(9-5-1)10-11-18-17-12-15-13-6-2-3-7-14(13)17;;/h2-3,6-7,12H,1,4-5,8-11H2;2*1H
InChIKeyUXONJAGJLMBCGF-UHFFFAOYSA-N
XLogP2.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride?
The IUPAC name of 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride (CID 161221509) is 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride.
What is the SMILES notation for 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride?
The canonical SMILES for 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride is Cl.Cl.c1ccc2c(c1)ncn2OCCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride?
The InChIKey is UXONJAGJLMBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.2ClH/c1-4-8-16(9-5-1)10-11-18-17-12-15-13-6-2-3-7-14(13)17;;/h2-3,6-7,12H,1,4-5,8-11H2;2*1H.
What are the key properties of 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride?
1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride has a molecular weight of 318.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethoxy)benzimidazole;dihydrochloride is sourced from PubChem (CID 161221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).