(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one

C17H10BrFN2O2S — CID 1098704

IUPAC(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N(C(=O)c2ccc(F)cc2)/C1=C\c1ccc(Br)cc1
InChIInChI=1S/C17H10BrFN2O2S/c18-12-5-1-10(2-6-12)9-14-15(22)20-17(24)21(14)16(23)11-3-7-13(19)8-4-11/h1-9H,(H,20,22,24)/b14-9-
InChIKeyDQRDLAZESZXXFY-ZROIWOOFSA-N
MW405.25 g/mol
LogP3.49
Rot. Bonds2

About (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 1098704) has the molecular formula C17H10BrFN2O2S and a molecular weight of 405.25 g/mol. Its IUPAC name is (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID1098704
Molecular FormulaC17H10BrFN2O2S
Molecular Weight405.25 g/mol
Exact Mass403.96
IUPAC Name(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N(C(=O)c2ccc(F)cc2)/C1=C\c1ccc(Br)cc1
InChIInChI=1S/C17H10BrFN2O2S/c18-12-5-1-10(2-6-12)9-14-15(22)20-17(24)21(14)16(23)11-3-7-13(19)8-4-11/h1-9H,(H,20,22,24)/b14-9-
InChIKeyDQRDLAZESZXXFY-ZROIWOOFSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-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

(5E)-1-(4-fluorobenzoyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 754562
5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
CID 1418142
(5E)-5-[(4-bromophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 45042662
N-[(E)-[(5E)-5-benzylidene-4-oxo-1-phenylimidazolidin-2-ylidene]amino]-4-bromobenzamide
CID 135521679
(5Z)-5-[(4-fluorophenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 19589561
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
CID 790945
2-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 16629104
(5E)-5-[(4-bromophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 17125804
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
(5Z)-3-(4-chlorobenzoyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6153402
(5E)-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 676676

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one (CID 1098704) is (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N(C(=O)c2ccc(F)cc2)/C1=C\c1ccc(Br)cc1.
What is the InChIKey of (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is DQRDLAZESZXXFY-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H10BrFN2O2S/c18-12-5-1-10(2-6-12)9-14-15(22)20-17(24)21(14)16(23)11-3-7-13(19)8-4-11/h1-9H,(H,20,22,24)/b14-9-.
What are the key properties of (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 405.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-bromophenyl)methylidene]-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 1098704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).