2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide

C21H25N3O2 — CID 4753652

IUPAC2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-2-15-24-19-12-7-6-11-18(19)23-20(24)13-8-14-22-21(25)16-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,22,25)
InChIKeyJVNOJHGOSRRURY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds9

About 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide

2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 4753652) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
PubChem CID4753652
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-2-15-24-19-12-7-6-11-18(19)23-20(24)13-8-14-22-21(25)16-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,22,25)
InChIKeyJVNOJHGOSRRURY-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
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-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
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-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide (CID 4753652) is 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide is CCCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is JVNOJHGOSRRURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-15-24-19-12-7-6-11-18(19)23-20(24)13-8-14-22-21(25)16-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,22,25).
What are the key properties of 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide?
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 4753652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).