5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

C21H15BrN2OS — CID 11531910

IUPAC5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccc(Br)cc2)N(c2ccccc2)C(=S)N1c1ccccc1
InChIInChI=1S/C21H15BrN2OS/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,19H
InChIKeyIWLRCWFHYARFJX-UHFFFAOYSA-N
MW423.34 g/mol
LogP5.33
Rot. Bonds3

About 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 11531910) has the molecular formula C21H15BrN2OS and a molecular weight of 423.34 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID11531910
Molecular FormulaC21H15BrN2OS
Molecular Weight423.34 g/mol
Exact Mass422.01
IUPAC Name5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccc(Br)cc2)N(c2ccccc2)C(=S)N1c1ccccc1
InChIInChI=1S/C21H15BrN2OS/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,19H
InChIKeyIWLRCWFHYARFJX-UHFFFAOYSA-N
XLogP5.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-5-(phenylmethyl)-2-thioxo-4-imidazolidinone
CID 2871911
1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CID 11851013
2-(4-bromophenyl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 59200611
3-(4-Bromo-benzoyl)-1-phenyl-2-thioxo-imidazolidin-4-one
CID 3109985
1-(1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl)-1-phenethyl-3-phenylthiourea
CID 3718852
1,3-Bis(3-iodophenyl)-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 11642840
CID 11655870
CID 11655870
(2R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2-bromophenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 44337428
(S)-1-(4-Bromophenyl)-3-(1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl)urea
CID 93095777
5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylidene-4-imidazolidinone
CID 3436919
5,5''-Bis(4-bromophenyl)-3-phenyl-2-thioxoimidazolidin-4-one
CID 11569628

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 11531910) is 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(c2ccc(Br)cc2)N(c2ccccc2)C(=S)N1c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IWLRCWFHYARFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2OS/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,19H.
What are the key properties of 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 423.34 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11531910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).