2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide

C26H27N3O3 — CID 16978511

IUPAC2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C26H27N3O3/c30-26(20-32-22-12-5-2-6-13-22)27-17-16-25-28-23-14-7-8-15-24(23)29(25)18-9-19-31-21-10-3-1-4-11-21/h1-8,10-15H,9,16-20H2,(H,27,30)
InChIKeyQJCWZVAVJBGASJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.24
Rot. Bonds11

About 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide

2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16978511) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16978511
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C26H27N3O3/c30-26(20-32-22-12-5-2-6-13-22)27-17-16-25-28-23-14-7-8-15-24(23)29(25)18-9-19-31-21-10-3-1-4-11-21/h1-8,10-15H,9,16-20H2,(H,27,30)
InChIKeyQJCWZVAVJBGASJ-UHFFFAOYSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
2-phenoxy-N-[2-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978519
2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980437
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978543

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide (CID 16978511) is 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide is O=C(COc1ccccc1)NCCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is QJCWZVAVJBGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-26(20-32-22-12-5-2-6-13-22)27-17-16-25-28-23-14-7-8-15-24(23)29(25)18-9-19-31-21-10-3-1-4-11-21/h1-8,10-15H,9,16-20H2,(H,27,30).
What are the key properties of 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide?
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16978511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).