N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide

C32H47N3O2 — CID 16992849

IUPACN-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
SMILESCCCCCCCCCCCCn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-19-26-35-30-23-17-16-22-29(30)34-31(35)24-15-12-18-25-33-32(36)27-37-28-20-13-11-14-21-28/h11,13-14,16-17,20-23H,2-10,12,15,18-19,24-27H2,1H3,(H,33,36)
InChIKeySYAVWWLWISGLHB-UHFFFAOYSA-N
MW505.75 g/mol
LogP7.87
Rot. Bonds20

About N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide

N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide (PubChem CID 16992849) has the molecular formula C32H47N3O2 and a molecular weight of 505.75 g/mol. Its IUPAC name is N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
PubChem CID16992849
Molecular FormulaC32H47N3O2
Molecular Weight505.75 g/mol
Exact Mass505.37
IUPAC NameN-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
SMILESCCCCCCCCCCCCn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-19-26-35-30-23-17-16-22-29(30)34-31(35)24-15-12-18-25-33-32(36)27-37-28-20-13-11-14-21-28/h11,13-14,16-17,20-23H,2-10,12,15,18-19,24-27H2,1H3,(H,33,36)
InChIKeySYAVWWLWISGLHB-UHFFFAOYSA-N
XLogP7.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.75
LogP ≤ 57.87
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-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide (CID 16992849) is N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide is CCCCCCCCCCCCn1c(CCCCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide?
The InChIKey is SYAVWWLWISGLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-19-26-35-30-23-17-16-22-29(30)34-31(35)24-15-12-18-25-33-32(36)27-37-28-20-13-11-14-21-28/h11,13-14,16-17,20-23H,2-10,12,15,18-19,24-27H2,1H3,(H,33,36).
What are the key properties of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide?
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide has a molecular weight of 505.75 g/mol, XLogP of 7.87, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide is sourced from PubChem (CID 16992849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).