2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C20H24F3N3OS — CID 55525621

IUPAC2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)NC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C20H24F3N3OS/c1-13-9-14(2)11-15(10-13)26-8-7-24-19(26)28-12-18(27)25-17-6-4-3-5-16(17)20(21,22)23/h7-11,16-17H,3-6,12H2,1-2H3,(H,25,27)
InChIKeyRMUZTUGWKSXEFO-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.82
Rot. Bonds5

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 55525621) has the molecular formula C20H24F3N3OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID55525621
Molecular FormulaC20H24F3N3OS
Molecular Weight411.49 g/mol
Exact Mass411.16
IUPAC Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)NC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C20H24F3N3OS/c1-13-9-14(2)11-15(10-13)26-8-7-24-19(26)28-12-18(27)25-17-6-4-3-5-16(17)20(21,22)23/h7-11,16-17H,3-6,12H2,1-2H3,(H,25,27)
InChIKeyRMUZTUGWKSXEFO-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 55525621) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)NC2CCCCC2C(F)(F)F)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is RMUZTUGWKSXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3OS/c1-13-9-14(2)11-15(10-13)26-8-7-24-19(26)28-12-18(27)25-17-6-4-3-5-16(17)20(21,22)23/h7-11,16-17H,3-6,12H2,1-2H3,(H,25,27).
What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 55525621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).