1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone

C19H20N2OS — CID 5183504

IUPAC1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
SMILESCCSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2OS/c1-2-23-19-20-12-13-21(19)18(22)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyWAURFELNVPTKQU-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.85
Rot. Bonds4

About 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone

1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone (PubChem CID 5183504) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
PubChem CID5183504
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
SMILESCCSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2OS/c1-2-23-19-20-12-13-21(19)18(22)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyWAURFELNVPTKQU-UHFFFAOYSA-N
XLogP3.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone (CID 5183504) is 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone is CCSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
The InChIKey is WAURFELNVPTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-23-19-20-12-13-21(19)18(22)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3.
What are the key properties of 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone has a molecular weight of 324.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 5183504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).