2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole

C21H25N3O — CID 46861858

IUPAC2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole
SMILESCN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1
InChIInChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyLDKQFEPUPKIHCG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.92
Rot. Bonds5

About 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole

2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole (PubChem CID 46861858) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole
PubChem CID46861858
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole
SMILESCN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1
InChIInChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyLDKQFEPUPKIHCG-UHFFFAOYSA-N
XLogP3.92
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole (CID 46861858) is 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole is CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is LDKQFEPUPKIHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole?
2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 335.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 46861858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).