2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone

C23H17FN2OS — CID 1267450

IUPAC2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2OS/c24-19-13-11-16(12-14-19)20(27)15-26-22(18-9-5-2-6-10-18)21(25-23(26)28)17-7-3-1-4-8-17/h1-14H,15H2,(H,25,28)
InChIKeyGPDFMBUARLCYEQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.90
Rot. Bonds5

About 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone

2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 1267450) has the molecular formula C23H17FN2OS and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone
PubChem CID1267450
Molecular FormulaC23H17FN2OS
Molecular Weight388.47 g/mol
Exact Mass388.10
IUPAC Name2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2OS/c24-19-13-11-16(12-14-19)20(27)15-26-22(18-9-5-2-6-10-18)21(25-23(26)28)17-7-3-1-4-8-17/h1-14H,15H2,(H,25,28)
InChIKeyGPDFMBUARLCYEQ-UHFFFAOYSA-N
XLogP5.90
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 1310764
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CID 44540150
4-Fluoro-N-[4-((E)-3-phenyl-allyl)-piperazine-1-carbothioyl]-benzamide
CID 1870451
2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-phenylethanone
CID 1265732
N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide
CID 2830411
N-(4-fluorobenzoyl)-N'-(2-oxo-2-phenylethyl)thiourea
CID 1581707
N-(phenacylcarbamothioyl)benzamide
CID 2305007
4-(2-fluorophenyl)-2-thioxo-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
CID 3488616
N-benzyl-4-(3-oxo-3-phenylpropyl)piperazine-1-carbothioamide
CID 122188709
N-[(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-4-oxopiperidine-1-carbothioyl]benzamide
CID 155521318
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-6H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 139030287
4-Methyl-5-benzoyl-6-phenyl-3,6-dihydropyrimidine-2(1H)-thione
CID 5147839

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone (CID 1267450) is 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone is O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccc(F)cc1.
What is the InChIKey of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is GPDFMBUARLCYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2OS/c24-19-13-11-16(12-14-19)20(27)15-26-22(18-9-5-2-6-10-18)21(25-23(26)28)17-7-3-1-4-8-17/h1-14H,15H2,(H,25,28).
What are the key properties of 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone?
2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 388.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 1267450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).