N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

C31H37N3O3 — CID 16992932

IUPACN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
SMILESCCc1ccc(OCCCn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H37N3O3/c1-2-25-17-19-27(20-18-25)36-23-11-22-34-29-15-9-8-14-28(29)33-30(34)16-7-4-10-21-32-31(35)24-37-26-12-5-3-6-13-26/h3,5-6,8-9,12-15,17-20H,2,4,7,10-11,16,21-24H2,1H3,(H,32,35)
InChIKeyPFKHJSJPXRMABR-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.98
Rot. Bonds15

About N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide

N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (PubChem CID 16992932) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
PubChem CID16992932
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC NameN-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
SMILESCCc1ccc(OCCCn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H37N3O3/c1-2-25-17-19-27(20-18-25)36-23-11-22-34-29-15-9-8-14-28(29)33-30(34)16-7-4-10-21-32-31(35)24-37-26-12-5-3-6-13-26/h3,5-6,8-9,12-15,17-20H,2,4,7,10-11,16,21-24H2,1H3,(H,32,35)
InChIKeyPFKHJSJPXRMABR-UHFFFAOYSA-N
XLogP5.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.98
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-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988234
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988720
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988882
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide (CID 16992932) is N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is CCc1ccc(OCCCn2c(CCCCCNC(=O)COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
The InChIKey is PFKHJSJPXRMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-2-25-17-19-27(20-18-25)36-23-11-22-34-29-15-9-8-14-28(29)33-30(34)16-7-4-10-21-32-31(35)24-37-26-12-5-3-6-13-26/h3,5-6,8-9,12-15,17-20H,2,4,7,10-11,16,21-24H2,1H3,(H,32,35).
What are the key properties of N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide?
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide has a molecular weight of 499.66 g/mol, XLogP of 5.98, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide is sourced from PubChem (CID 16992932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).