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

C30H34ClN3O3 — CID 16993260

IUPAC2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C30H34ClN3O3/c31-24-16-18-26(19-17-24)37-23-30(35)32-20-8-2-5-15-29-33-27-13-6-7-14-28(27)34(29)21-9-10-22-36-25-11-3-1-4-12-25/h1,3-4,6-7,11-14,16-19H,2,5,8-10,15,20-23H2,(H,32,35)
InChIKeyQVTJGORCSKICPX-UHFFFAOYSA-N
MW520.07 g/mol
LogP6.46
Rot. Bonds15

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

2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993260) has the molecular formula C30H34ClN3O3 and a molecular weight of 520.07 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16993260
Molecular FormulaC30H34ClN3O3
Molecular Weight520.07 g/mol
Exact Mass519.23
IUPAC Name2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C30H34ClN3O3/c31-24-16-18-26(19-17-24)37-23-30(35)32-20-8-2-5-15-29-33-27-13-6-7-14-28(27)34(29)21-9-10-22-36-25-11-3-1-4-12-25/h1,3-4,6-7,11-14,16-19H,2,5,8-10,15,20-23H2,(H,32,35)
InChIKeyQVTJGORCSKICPX-UHFFFAOYSA-N
XLogP6.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.07
LogP ≤ 56.46
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
2-(4-chlorophenoxy)-N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993314
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992948
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987932
N-[3-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-chlorophenoxy)acetamide
CID 16986499
2-(4-chlorophenoxy)-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16986490
2-(4-chlorophenoxy)-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993235
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide (CID 16993260) is 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is QVTJGORCSKICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3/c31-24-16-18-26(19-17-24)37-23-30(35)32-20-8-2-5-15-29-33-27-13-6-7-14-28(27)34(29)21-9-10-22-36-25-11-3-1-4-12-25/h1,3-4,6-7,11-14,16-19H,2,5,8-10,15,20-23H2,(H,32,35).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 520.07 g/mol, XLogP of 6.46, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).