6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole

C17H25N3O — CID 84816302

IUPAC6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccc(OCCC3CCCCN3)cc2[nH]1
InChIInChI=1S/C17H25N3O/c1-2-5-17-19-15-8-7-14(12-16(15)20-17)21-11-9-13-6-3-4-10-18-13/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,20)
InChIKeyDECXEYAJEJDUNO-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.43
Rot. Bonds6

About 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole

6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole (PubChem CID 84816302) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole
PubChem CID84816302
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccc(OCCC3CCCCN3)cc2[nH]1
InChIInChI=1S/C17H25N3O/c1-2-5-17-19-15-8-7-14(12-16(15)20-17)21-11-9-13-6-3-4-10-18-13/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,20)
InChIKeyDECXEYAJEJDUNO-UHFFFAOYSA-N
XLogP3.43
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole?
The IUPAC name of 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole (CID 84816302) is 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole.
What is the SMILES notation for 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole?
The canonical SMILES for 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole is CCCc1nc2ccc(OCCC3CCCCN3)cc2[nH]1.
What is the InChIKey of 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole?
The InChIKey is DECXEYAJEJDUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-5-17-19-15-8-7-14(12-16(15)20-17)21-11-9-13-6-3-4-10-18-13/h7-8,12-13,18H,2-6,9-11H2,1H3,(H,19,20).
What are the key properties of 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole?
6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole has a molecular weight of 287.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole is sourced from PubChem (CID 84816302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).