3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione

C22H14Cl2N2O2S — CID 5217850

IUPAC3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C22H14Cl2N2O2S/c23-15-8-10-18(11-9-15)29-20-7-2-1-4-14(20)12-19-21(27)26(22(28)25-19)17-6-3-5-16(24)13-17/h1-13H,(H,25,28)
InChIKeyXYFJFHAMNQSPHX-UHFFFAOYSA-N
MW441.34 g/mol
LogP6.24
Rot. Bonds4

About 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione

3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 5217850) has the molecular formula C22H14Cl2N2O2S and a molecular weight of 441.34 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID5217850
Molecular FormulaC22H14Cl2N2O2S
Molecular Weight441.34 g/mol
Exact Mass440.02
IUPAC Name3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C22H14Cl2N2O2S/c23-15-8-10-18(11-9-15)29-20-7-2-1-4-14(20)12-19-21(27)26(22(28)25-19)17-6-3-5-16(24)13-17/h1-13H,(H,25,28)
InChIKeyXYFJFHAMNQSPHX-UHFFFAOYSA-N
XLogP6.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione 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)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237362
(5E)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059
3-[5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid
CID 3943874
(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 684943
(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione
CID 1004128
(5Z)-3-(3-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6435145
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 5400771

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione (CID 5217850) is 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is XYFJFHAMNQSPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O2S/c23-15-8-10-18(11-9-15)29-20-7-2-1-4-14(20)12-19-21(27)26(22(28)25-19)17-6-3-5-16(24)13-17/h1-13H,(H,25,28).
What are the key properties of 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione?
3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 441.34 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5217850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).