1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone

C20H22N2O3S — CID 3605098

IUPAC1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-24-17-9-8-16(12-18(17)25-2)13-19(23)22-11-10-21-20(22)26-14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyUODAVMYGGUIHQQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone

1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 3605098) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID3605098
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-24-17-9-8-16(12-18(17)25-2)13-19(23)22-11-10-21-20(22)26-14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyUODAVMYGGUIHQQ-UHFFFAOYSA-N
XLogP3.38
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone (CID 3605098) is 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN=C2SCc2ccccc2)cc1OC.
What is the InChIKey of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is UODAVMYGGUIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-24-17-9-8-16(12-18(17)25-2)13-19(23)22-11-10-21-20(22)26-14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone?
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 370.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 3605098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).