2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C20H18F3N3OS — CID 7151036

IUPAC2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3OS/c1-14-6-8-15(9-7-14)12-26-11-10-24-19(26)28-13-18(27)25-17-5-3-2-4-16(17)20(21,22)23/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyVXAZHJLGFCJGSP-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.99
Rot. Bonds6

About 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 7151036) has the molecular formula C20H18F3N3OS and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID7151036
Molecular FormulaC20H18F3N3OS
Molecular Weight405.45 g/mol
Exact Mass405.11
IUPAC Name2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3OS/c1-14-6-8-15(9-7-14)12-26-11-10-24-19(26)28-13-18(27)25-17-5-3-2-4-16(17)20(21,22)23/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyVXAZHJLGFCJGSP-UHFFFAOYSA-N
XLogP4.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[1-(2-methylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
CID 4961785
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-chloro-2-methylphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4275406
N-(3-fluoro-4-methylphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4879501
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 5213583
2-((1-(2,5-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 7150916
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16293039
N-(4-acetylphenyl)-2-{[1-(2-phenylethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 575169
N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)thio]acetamide
CID 749672

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 7151036) is 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VXAZHJLGFCJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3OS/c1-14-6-8-15(9-7-14)12-26-11-10-24-19(26)28-13-18(27)25-17-5-3-2-4-16(17)20(21,22)23/h2-11H,12-13H2,1H3,(H,25,27).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7151036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).