N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide

C21H25N3O2 — CID 2989395

IUPACN-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-17(25)22-14-13-21-23-19-11-5-6-12-20(19)24(21)15-7-8-16-26-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,25)
InChIKeyOLZTWMIORHUVEH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds9

About N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 2989395) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID2989395
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-17(25)22-14-13-21-23-19-11-5-6-12-20(19)24(21)15-7-8-16-26-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,25)
InChIKeyOLZTWMIORHUVEH-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
CID 1183113
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
N-(2-(isopropylamino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11188955
2-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 11198512

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide (CID 2989395) is N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is OLZTWMIORHUVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17(25)22-14-13-21-23-19-11-5-6-12-20(19)24(21)15-7-8-16-26-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 2989395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).