2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

C21H24N2O3S — CID 4647987

IUPAC2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H24N2O3S/c1-15-4-6-16(7-5-15)14-27-21-22-10-11-23(21)20(24)13-17-8-9-18(25-2)19(12-17)26-3/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyUXUURVJHYPUNMG-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.69
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone

2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 4647987) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID4647987
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H24N2O3S/c1-15-4-6-16(7-5-15)14-27-21-22-10-11-23(21)20(24)13-17-8-9-18(25-2)19(12-17)26-3/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyUXUURVJHYPUNMG-UHFFFAOYSA-N
XLogP3.69
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 4647987) is 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is COc1ccc(CC(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is UXUURVJHYPUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-4-6-16(7-5-15)14-27-21-22-10-11-23(21)20(24)13-17-8-9-18(25-2)19(12-17)26-3/h4-9,12H,10-11,13-14H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 384.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 4647987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).