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

C30H35N3O3 — CID 16992936

IUPAC2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESO=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C30H35N3O3/c34-30(24-36-26-16-6-2-7-17-26)31-21-11-3-8-20-29-32-27-18-9-10-19-28(27)33(29)22-12-13-23-35-25-14-4-1-5-15-25/h1-2,4-7,9-10,14-19H,3,8,11-13,20-24H2,(H,31,34)
InChIKeyYZOJBJLTXTVDGB-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.80
Rot. Bonds15

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

2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16992936) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16992936
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESO=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C30H35N3O3/c34-30(24-36-26-16-6-2-7-17-26)31-21-11-3-8-20-29-32-27-18-9-10-19-28(27)33(29)22-12-13-23-35-25-14-4-1-5-15-25/h1-2,4-7,9-10,14-19H,3,8,11-13,20-24H2,(H,31,34)
InChIKeyYZOJBJLTXTVDGB-UHFFFAOYSA-N
XLogP5.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.80
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-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992948
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-(4-chlorophenoxy)-N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993314
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
2-phenoxy-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992914

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide (CID 16992936) is 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide is O=C(COc1ccccc1)NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is YZOJBJLTXTVDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c34-30(24-36-26-16-6-2-7-17-26)31-21-11-3-8-20-29-32-27-18-9-10-19-28(27)33(29)22-12-13-23-35-25-14-4-1-5-15-25/h1-2,4-7,9-10,14-19H,3,8,11-13,20-24H2,(H,31,34).
What are the key properties of 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide?
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 485.63 g/mol, XLogP of 5.80, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16992936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).