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

C22H27N3O2 — CID 4754415

IUPACN-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
SMILESCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-2-3-16-25-20-13-8-7-12-19(20)24-21(25)14-9-15-23-22(26)17-27-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,23,26)
InChIKeyYFRHXQHPOSKSTF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.96
Rot. Bonds10

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

N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide (PubChem CID 4754415) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
PubChem CID4754415
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
SMILESCCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-2-3-16-25-20-13-8-7-12-19(20)24-21(25)14-9-15-23-22(26)17-27-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,23,26)
InChIKeyYFRHXQHPOSKSTF-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.96
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
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
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
N-[3-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986308
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide (CID 4754415) is N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide is CCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
The InChIKey is YFRHXQHPOSKSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-3-16-25-20-13-8-7-12-19(20)24-21(25)14-9-15-23-22(26)17-27-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,23,26).
What are the key properties of N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide?
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide is sourced from PubChem (CID 4754415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).