N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C25H24ClN3O3 — CID 16978497

IUPACN-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C25H24ClN3O3/c26-20-10-4-7-13-23(20)31-17-16-29-22-12-6-5-11-21(22)28-24(29)14-15-27-25(30)18-32-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,30)
InChIKeyHDKNRQIXOXASAY-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.51
Rot. Bonds10

About N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16978497) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16978497
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C25H24ClN3O3/c26-20-10-4-7-13-23(20)31-17-16-29-22-12-6-5-11-21(22)28-24(29)14-15-27-25(30)18-32-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,30)
InChIKeyHDKNRQIXOXASAY-UHFFFAOYSA-N
XLogP4.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978821
N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986327
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992948
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978810
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979775
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986431
2-phenoxy-N-[2-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978519

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16978497) is N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1nc2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is HDKNRQIXOXASAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c26-20-10-4-7-13-23(20)31-17-16-29-22-12-6-5-11-21(22)28-24(29)14-15-27-25(30)18-32-19-8-2-1-3-9-19/h1-13H,14-18H2,(H,27,30).
What are the key properties of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 449.94 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16978497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).