1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone

C18H16N2OS — CID 13162435

IUPAC1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone
SMILESCSc1nc(-c2ccccc2)n(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C18H16N2OS/c1-13(21)16-18(22-2)19-17(14-9-5-3-6-10-14)20(16)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyGZJXMCRSJOBEQU-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.46
Rot. Bonds4

About 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone

1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone (PubChem CID 13162435) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone
PubChem CID13162435
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone
SMILESCSc1nc(-c2ccccc2)n(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C18H16N2OS/c1-13(21)16-18(22-2)19-17(14-9-5-3-6-10-14)20(16)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyGZJXMCRSJOBEQU-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1,2-diphenylpyrido[2,3-d]pyrimidin-4-one
CID 1490401
N'-methyl-4-methylsulfanyl-6-oxo-2-phenyl-1-(4-sulfamoylphenyl)pyrimidine-5-carboximidamide
CID 15980276
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
diethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanedioate
CID 134066812
1-(4-methylphenyl)-4-methylsulfanyl-2-(2-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxylic acid
CID 69220565
(2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2601397
2-(4-ethoxyphenyl)-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carbonitrile
CID 69220498
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
4-methyl-5-methylsulfanyl-2-phenyltriazole
CID 12815844
methyl 2-ethyl-4-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 130236105
2,3,6-triphenylpyrimidin-4-one
CID 13280772
methyl 3-(4-bromophenyl)-2-(4-methylphenyl)-5-phenylimidazole-4-carboxylate
CID 102223701

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone?
The IUPAC name of 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone (CID 13162435) is 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone is CSc1nc(-c2ccccc2)n(-c2ccccc2)c1C(C)=O.
What is the InChIKey of 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone?
The InChIKey is GZJXMCRSJOBEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13(21)16-18(22-2)19-17(14-9-5-3-6-10-14)20(16)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone?
1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone has a molecular weight of 308.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone is sourced from PubChem (CID 13162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).