2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone

C19H18N2OS — CID 33298165

IUPAC2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18N2OS/c1-14-10-15(2)12-17(11-14)21-9-8-20-19(21)23-13-18(22)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyFKEXSQAPUDDJOI-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.46
Rot. Bonds5

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone (PubChem CID 33298165) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
PubChem CID33298165
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18N2OS/c1-14-10-15(2)12-17(11-14)21-9-8-20-19(21)23-13-18(22)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyFKEXSQAPUDDJOI-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone 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

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 40664275
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 51488308
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
CID 33362219
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33298554
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 55391479
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 55632821
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 4055089
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 40669999

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone (CID 33298165) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone is Cc1cc(C)cc(-n2ccnc2SCC(=O)c2ccccc2)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
The InChIKey is FKEXSQAPUDDJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-10-15(2)12-17(11-14)21-9-8-20-19(21)23-13-18(22)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone?
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone has a molecular weight of 322.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 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-1-phenylethanone is sourced from PubChem (CID 33298165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).