5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C10H9BrN2OS — CID 105404308

IUPAC5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(C2NC(=S)NC2=O)cc1Br
InChIInChI=1S/C10H9BrN2OS/c1-5-2-3-6(4-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyNAJXMURGAWIWDE-UHFFFAOYSA-N
MW285.17 g/mol
LogP1.80
Rot. Bonds1

About 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 105404308) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID105404308
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(C2NC(=S)NC2=O)cc1Br
InChIInChI=1S/C10H9BrN2OS/c1-5-2-3-6(4-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyNAJXMURGAWIWDE-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
CID 105401742
5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997208
2-bromo-4-cyclopropyl-1-methylbenzene
CID 66521055
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-sulfanylideneimidazolidin-4-one
CID 82997073
5-(2-bromo-4,5-dimethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997070
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187987
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
CID 82997071
(4R)-4-(3-bromo-4-methylphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187988
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997078
5-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
CID 82997067
5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one
CID 130581585

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 105404308) is 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1ccc(C2NC(=S)NC2=O)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NAJXMURGAWIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-5-2-3-6(4-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 285.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 105404308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).