2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide

C25H24FN3O3S — CID 145232075

IUPAC2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide
SMILESCCS(=O)c1ccc(CC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FN3O3S/c1-3-33(32)21-11-4-17(5-12-21)14-24(30)27-20-10-13-23-22(15-20)28-25(31)29(23)16(2)18-6-8-19(26)9-7-18/h4-13,15-16H,3,14H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYVLXBERWIFLGHX-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.39
Rot. Bonds7

About 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide

2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide (PubChem CID 145232075) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide
PubChem CID145232075
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide
SMILESCCS(=O)c1ccc(CC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FN3O3S/c1-3-33(32)21-11-4-17(5-12-21)14-24(30)27-20-10-13-23-22(15-20)28-25(31)29(23)16(2)18-6-8-19(26)9-7-18/h4-13,15-16H,3,14H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYVLXBERWIFLGHX-UHFFFAOYSA-N
XLogP4.39
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide (CID 145232075) is 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide is CCS(=O)c1ccc(CC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide?
The InChIKey is YVLXBERWIFLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-3-33(32)21-11-4-17(5-12-21)14-24(30)27-20-10-13-23-22(15-20)28-25(31)29(23)16(2)18-6-8-19(26)9-7-18/h4-13,15-16H,3,14H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide?
2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide has a molecular weight of 465.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfinylphenyl)-N-[1-[1-(4-fluorophenyl)ethyl]-2-oxo-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 145232075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).