N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide

C26H24ClN3O3 — CID 16986364

IUPACN-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c27-20-14-12-19(13-15-20)24(31)17-30-23-10-5-4-9-22(23)29-25(30)11-6-16-28-26(32)18-33-21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-18H2,(H,28,32)
InChIKeyNVGXOFFPNOQUMI-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.70
Rot. Bonds10

About N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide

N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide (PubChem CID 16986364) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
PubChem CID16986364
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC NameN-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c27-20-14-12-19(13-15-20)24(31)17-30-23-10-5-4-9-22(23)29-25(30)11-6-16-28-26(32)18-33-21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-18H2,(H,28,32)
InChIKeyNVGXOFFPNOQUMI-UHFFFAOYSA-N
XLogP4.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.70
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-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
2-(4-chlorophenoxy)-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986501
2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide
CID 16986382
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986416
2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16993286
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide (CID 16986364) is N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The InChIKey is NVGXOFFPNOQUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-20-14-12-19(13-15-20)24(31)17-30-23-10-5-4-9-22(23)29-25(30)11-6-16-28-26(32)18-33-21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-18H2,(H,28,32).
What are the key properties of N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide has a molecular weight of 461.95 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide is sourced from PubChem (CID 16986364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).