2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C18H14F3N3O3S — CID 4284823

IUPAC2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)n1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C18H14F3N3O3S/c1-11(25)24-15-5-3-2-4-14(15)23-17(24)28-10-16(26)22-12-6-8-13(9-7-12)27-18(19,20)21/h2-9H,10H2,1H3,(H,22,26)
InChIKeyJDBJIBGHSPVGLP-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.33
Rot. Bonds5

About 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 4284823) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID4284823
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)n1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C18H14F3N3O3S/c1-11(25)24-15-5-3-2-4-14(15)23-17(24)28-10-16(26)22-12-6-8-13(9-7-12)27-18(19,20)21/h2-9H,10H2,1H3,(H,22,26)
InChIKeyJDBJIBGHSPVGLP-UHFFFAOYSA-N
XLogP4.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26288999
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-(2,2,2-trichloroethyl)benzimidazole-1-carboxamide
CID 50997779
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 3460987
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
2-[[4-benzyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2127832
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 4284823) is 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(=O)n1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2ccccc21.
What is the InChIKey of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is JDBJIBGHSPVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c1-11(25)24-15-5-3-2-4-14(15)23-17(24)28-10-16(26)22-12-6-8-13(9-7-12)27-18(19,20)21/h2-9H,10H2,1H3,(H,22,26).
What are the key properties of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 409.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4284823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).