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

C18H22F3N3O2S — CID 78861846

IUPAC2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NCCCOCC(F)(F)F)c1
InChIInChI=1S/C18H22F3N3O2S/c1-13-4-5-14(2)15(10-13)24-8-7-23-17(24)27-11-16(25)22-6-3-9-26-12-18(19,20)21/h4-5,7-8,10H,3,6,9,11-12H2,1-2H3,(H,22,25)
InChIKeyQWLNIWULZJGNGD-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.67
Rot. Bonds9

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

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (PubChem CID 78861846) has the molecular formula C18H22F3N3O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
PubChem CID78861846
Molecular FormulaC18H22F3N3O2S
Molecular Weight401.45 g/mol
Exact Mass401.14
IUPAC Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NCCCOCC(F)(F)F)c1
InChIInChI=1S/C18H22F3N3O2S/c1-13-4-5-14(2)15(10-13)24-8-7-23-17(24)27-11-16(25)22-6-3-9-26-12-18(19,20)21/h4-5,7-8,10H,3,6,9,11-12H2,1-2H3,(H,22,25)
InChIKeyQWLNIWULZJGNGD-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24597794
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55652675
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
CID 55723941
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670161
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
CID 55619783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (CID 78861846) is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)NCCCOCC(F)(F)F)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The InChIKey is QWLNIWULZJGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2S/c1-13-4-5-14(2)15(10-13)24-8-7-23-17(24)27-11-16(25)22-6-3-9-26-12-18(19,20)21/h4-5,7-8,10H,3,6,9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide has a molecular weight of 401.45 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is sourced from PubChem (CID 78861846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).