N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

C27H26FN3OS — CID 6498786

IUPACN-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2cc(-c3ccc(F)cc3)nc2SCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C27H26FN3OS/c1-18-7-9-21(10-8-18)15-31-16-24(22-11-13-23(28)14-12-22)29-27(31)33-17-25(32)30-26-19(2)5-4-6-20(26)3/h4-14,16H,15,17H2,1-3H3,(H,30,32)
InChIKeyGWTUQYRQSSQKPC-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.39
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 6498786) has the molecular formula C27H26FN3OS and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID6498786
Molecular FormulaC27H26FN3OS
Molecular Weight459.59 g/mol
Exact Mass459.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2cc(-c3ccc(F)cc3)nc2SCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C27H26FN3OS/c1-18-7-9-21(10-8-18)15-31-16-24(22-11-13-23(28)14-12-22)29-27(31)33-17-25(32)30-26-19(2)5-4-6-20(26)3/h4-14,16H,15,17H2,1-3H3,(H,30,32)
InChIKeyGWTUQYRQSSQKPC-UHFFFAOYSA-N
XLogP6.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide 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

N-[(4-fluorophenyl)methyl]-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7621426
2-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)imidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 1166607
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 29198713
2-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)imidazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1166621
N-(2,6-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16532097
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 7621863
2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 7621735
N-(2,6-dimethylphenyl)-2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7566456
N-(2,6-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7538406
1-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylimidazole
CID 69188613
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 3458291

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 6498786) is N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is Cc1ccc(Cn2cc(-c3ccc(F)cc3)nc2SCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is GWTUQYRQSSQKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3OS/c1-18-7-9-21(10-8-18)15-31-16-24(22-11-13-23(28)14-12-22)29-27(31)33-17-25(32)30-26-19(2)5-4-6-20(26)3/h4-14,16H,15,17H2,1-3H3,(H,30,32).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 459.59 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 6498786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).