N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide

C26H35N3O2 — CID 16986228

IUPACN-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
SMILESCCCCCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H35N3O2/c1-2-3-4-5-6-12-20-29-24-17-11-10-16-23(24)28-25(29)18-13-19-27-26(30)21-31-22-14-8-7-9-15-22/h7-11,14-17H,2-6,12-13,18-21H2,1H3,(H,27,30)
InChIKeyCNSSOVJHZQHQBK-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.52
Rot. Bonds14

About N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide

N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide (PubChem CID 16986228) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
PubChem CID16986228
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
SMILESCCCCCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H35N3O2/c1-2-3-4-5-6-12-20-29-24-17-11-10-16-23(24)28-25(29)18-13-19-27-26(30)21-31-22-14-8-7-9-15-22/h7-11,14-17H,2-6,12-13,18-21H2,1H3,(H,27,30)
InChIKeyCNSSOVJHZQHQBK-UHFFFAOYSA-N
XLogP5.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide (CID 16986228) is N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide is CCCCCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
The InChIKey is CNSSOVJHZQHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-2-3-4-5-6-12-20-29-24-17-11-10-16-23(24)28-25(29)18-13-19-27-26(30)21-31-22-14-8-7-9-15-22/h7-11,14-17H,2-6,12-13,18-21H2,1H3,(H,27,30).
What are the key properties of N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide has a molecular weight of 421.59 g/mol, XLogP of 5.52, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide is sourced from PubChem (CID 16986228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).