2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide

C25H33N3O3 — CID 16988400

IUPAC2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCOCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C25H33N3O3/c1-30-20-25(29)26-17-9-3-6-16-24-27-22-14-7-8-15-23(22)28(24)18-10-11-19-31-21-12-4-2-5-13-21/h2,4-5,7-8,12-15H,3,6,9-11,16-20H2,1H3,(H,26,29)
InChIKeyLUFPGQSNODLSLC-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.37
Rot. Bonds14

About 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide

2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16988400) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16988400
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCOCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C25H33N3O3/c1-30-20-25(29)26-17-9-3-6-16-24-27-22-14-7-8-15-23(22)28(24)18-10-11-19-31-21-12-4-2-5-13-21/h2,4-5,7-8,12-15H,3,6,9-11,16-20H2,1H3,(H,26,29)
InChIKeyLUFPGQSNODLSLC-UHFFFAOYSA-N
XLogP4.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988359
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxyacetamide
CID 16981368
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide (CID 16988400) is 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide is COCC(=O)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is LUFPGQSNODLSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-30-20-25(29)26-17-9-3-6-16-24-27-22-14-7-8-15-23(22)28(24)18-10-11-19-31-21-12-4-2-5-13-21/h2,4-5,7-8,12-15H,3,6,9-11,16-20H2,1H3,(H,26,29).
What are the key properties of 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.37, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16988400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).