N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide

C22H23F3N4O2S — CID 25324095

IUPACN-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H23F3N4O2S/c1-3-4-11-29-19-10-5-15(22(23,24)25)12-18(19)28-21(29)32-13-20(31)27-17-8-6-16(7-9-17)26-14(2)30/h5-10,12H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyBPBRBBWJGFMWQM-UHFFFAOYSA-N
MW464.51 g/mol
LogP5.54
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 25324095) has the molecular formula C22H23F3N4O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID25324095
Molecular FormulaC22H23F3N4O2S
Molecular Weight464.51 g/mol
Exact Mass464.15
IUPAC NameN-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H23F3N4O2S/c1-3-4-11-29-19-10-5-15(22(23,24)25)12-18(19)28-21(29)32-13-20(31)27-17-8-6-16(7-9-17)26-14(2)30/h5-10,12H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyBPBRBBWJGFMWQM-UHFFFAOYSA-N
XLogP5.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 7063825
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 78857377
methyl 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-2-methylpropanoate
CID 55609585
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 55430200
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4798928
N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25330174
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 46922462
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
CID 3961652

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide (CID 25324095) is N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide is CCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is BPBRBBWJGFMWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2S/c1-3-4-11-29-19-10-5-15(22(23,24)25)12-18(19)28-21(29)32-13-20(31)27-17-8-6-16(7-9-17)26-14(2)30/h5-10,12H,3-4,11,13H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 464.51 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 25324095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).