2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide

C23H21N3O2S — CID 17027908

IUPAC2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1c(SCCOc2ccccc2)nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-22(24-18-9-3-1-4-10-18)17-26-21-14-8-7-13-20(21)25-23(26)29-16-15-28-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,27)
InChIKeyOXLAOANXBPEDDC-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.85
Rot. Bonds8

About 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide

2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 17027908) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
PubChem CID17027908
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1c(SCCOc2ccccc2)nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-22(24-18-9-3-1-4-10-18)17-26-21-14-8-7-13-20(21)25-23(26)29-16-15-28-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,27)
InChIKeyOXLAOANXBPEDDC-UHFFFAOYSA-N
XLogP4.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.85
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-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 25330591
N-tert-butyl-2-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide
CID 17028010
N-cyclopropyl-2-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide
CID 17028049
2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000527
3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propane-1,2-diol
CID 2772502
2-[2-[2-(4-ethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000295
3-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2772727
3-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
CID 2856865
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide (CID 17027908) is 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide is O=C(Cn1c(SCCOc2ccccc2)nc2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is OXLAOANXBPEDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-22(24-18-9-3-1-4-10-18)17-26-21-14-8-7-13-20(21)25-23(26)29-16-15-28-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,27).
What are the key properties of 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 403.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 17027908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).