N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide

C25H33N3O3 — CID 16988359

IUPACN-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1
InChIInChI=1S/C25H33N3O3/c1-19-15-20(2)17-21(16-19)31-14-13-28-23-10-7-6-9-22(23)27-24(28)11-5-4-8-12-26-25(29)18-30-3/h6-7,9-10,15-17H,4-5,8,11-14,18H2,1-3H3,(H,26,29)
InChIKeyVIXYKLVEBJWNTH-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.21
Rot. Bonds12

About N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide

N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide (PubChem CID 16988359) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
PubChem CID16988359
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1
InChIInChI=1S/C25H33N3O3/c1-19-15-20(2)17-21(16-19)31-14-13-28-23-10-7-6-9-22(23)27-24(28)11-5-4-8-12-26-25(29)18-30-3/h6-7,9-10,15-17H,4-5,8,11-14,18H2,1-3H3,(H,26,29)
InChIKeyVIXYKLVEBJWNTH-UHFFFAOYSA-N
XLogP4.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.21
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

N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxyacetamide
CID 16981368
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994029
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991275
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988521
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987900
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16988406
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985596

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide?
The IUPAC name of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide (CID 16988359) is N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide is COCC(=O)NCCCCCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1.
What is the InChIKey of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide?
The InChIKey is VIXYKLVEBJWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19-15-20(2)17-21(16-19)31-14-13-28-23-10-7-6-9-22(23)27-24(28)11-5-4-8-12-26-25(29)18-30-3/h6-7,9-10,15-17H,4-5,8,11-14,18H2,1-3H3,(H,26,29).
What are the key properties of N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide?
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide has a molecular weight of 423.56 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide is sourced from PubChem (CID 16988359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).