N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide

C25H24BrN3O2 — CID 16986246

IUPACN-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O2/c26-20-14-12-19(13-15-20)17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)18-31-21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-18H2,(H,27,30)
InChIKeyBOYCKTNJNCDKLB-UHFFFAOYSA-N
MW478.39 g/mol
LogP4.97
Rot. Bonds9

About N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide

N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide (PubChem CID 16986246) has the molecular formula C25H24BrN3O2 and a molecular weight of 478.39 g/mol. Its IUPAC name is N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
PubChem CID16986246
Molecular FormulaC25H24BrN3O2
Molecular Weight478.39 g/mol
Exact Mass477.11
IUPAC NameN-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C25H24BrN3O2/c26-20-14-12-19(13-15-20)17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)18-31-21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-18H2,(H,27,30)
InChIKeyBOYCKTNJNCDKLB-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 54.97
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

2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992872
2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986416
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
2-(4-chlorophenoxy)-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993200
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986364
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide (CID 16986246) is N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The InChIKey is BOYCKTNJNCDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O2/c26-20-14-12-19(13-15-20)17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)18-31-21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-18H2,(H,27,30).
What are the key properties of N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide has a molecular weight of 478.39 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide is sourced from PubChem (CID 16986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).