3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one

C16H11BrN2O2S — CID 3109985

IUPAC3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O2S/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyYTBLFOLWXZTEDD-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.22
Rot. Bonds2

About 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one

3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3109985) has the molecular formula C16H11BrN2O2S and a molecular weight of 375.25 g/mol. Its IUPAC name is 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3109985
Molecular FormulaC16H11BrN2O2S
Molecular Weight375.25 g/mol
Exact Mass373.97
IUPAC Name3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O2S/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyYTBLFOLWXZTEDD-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-bromobenzoyl)-1-phenyl-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

3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one
CID 810270
N-(3-bromobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
CID 989981
3-Benzoyl-1-phenylimidazolidine-2,4-dione
CID 10779103
1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CID 11851013
2-bromo-N-[2,3-dihydroindol-1-yl(sulfanylidene)methyl]benzamide
CID 1014342
1-benzoyl-3-(4-bromophenyl)-4-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 1229560
4-bromo-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 56593056
4-bromo-N-[(2S)-1-[1-(3-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]benzamide
CID 71718136
4-bromo-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide
CID 118722103
4-bromo-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide;hydrochloride
CID 49847187
4-bromo-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
CID 49847188
N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl]-4-bromobenzamide
CID 2892700

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 3109985) is 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YTBLFOLWXZTEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2S/c17-12-8-6-11(7-9-12)15(21)19-14(20)10-18(16(19)22)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 375.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromobenzoyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3109985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).