1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one

C22H24N2OS — CID 163542444

IUPAC1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)CSc2nccn2-c2cccc(C)c2C)cc1
InChIInChI=1S/C22H24N2OS/c1-4-18-8-10-19(11-9-18)14-20(25)15-26-22-23-12-13-24(22)21-7-5-6-16(2)17(21)3/h5-13H,4,14-15H2,1-3H3
InChIKeySFTNHSZKTZZBDE-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.96
Rot. Bonds7

About 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one

1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one (PubChem CID 163542444) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
PubChem CID163542444
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)CSc2nccn2-c2cccc(C)c2C)cc1
InChIInChI=1S/C22H24N2OS/c1-4-18-8-10-19(11-9-18)14-20(25)15-26-22-23-12-13-24(22)21-7-5-6-16(2)17(21)3/h5-13H,4,14-15H2,1-3H3
InChIKeySFTNHSZKTZZBDE-UHFFFAOYSA-N
XLogP4.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one 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-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 39757176
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
CID 40669211
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111463207
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
ethyl (2R)-4-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanoate
CID 98383871

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one?
The IUPAC name of 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one (CID 163542444) is 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one.
What is the SMILES notation for 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one?
The canonical SMILES for 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one is CCc1ccc(CC(=O)CSc2nccn2-c2cccc(C)c2C)cc1.
What is the InChIKey of 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one?
The InChIKey is SFTNHSZKTZZBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-4-18-8-10-19(11-9-18)14-20(25)15-26-22-23-12-13-24(22)21-7-5-6-16(2)17(21)3/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one?
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one has a molecular weight of 364.51 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one is sourced from PubChem (CID 163542444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).