3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

C24H20N2O2S — CID 1021327

IUPAC3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(=Cc3ccccc3Sc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O2S/c1-17-11-13-18(14-12-17)16-26-23(27)21(25-24(26)28)15-19-7-5-6-10-22(19)29-20-8-3-2-4-9-20/h2-15H,16H2,1H3,(H,25,28)
InChIKeyFKQZHHVBEBEYBB-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.24
Rot. Bonds5

About 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 1021327) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID1021327
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(=Cc3ccccc3Sc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O2S/c1-17-11-13-18(14-12-17)16-26-23(27)21(25-24(26)28)15-19-7-5-6-10-22(19)29-20-8-3-2-4-9-20/h2-15H,16H2,1H3,(H,25,28)
InChIKeyFKQZHHVBEBEYBB-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.24
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'}

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Related Compounds

(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237362
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
methyl 2-[2,5-dioxo-4-[(2-phenylsulfanylphenyl)methylidene]imidazolidin-1-yl]acetate
CID 3953476
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126236745
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245188
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253792
2-[[2-[(Z)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 5433800
(5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248234
2-[3-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetonitrile
CID 126240677
(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6376994

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (CID 1021327) is 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)NC(=Cc3ccccc3Sc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is FKQZHHVBEBEYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-11-13-18(14-12-17)16-26-23(27)21(25-24(26)28)15-19-7-5-6-10-22(19)29-20-8-3-2-4-9-20/h2-15H,16H2,1H3,(H,25,28).
What are the key properties of 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 400.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-5-[(2-phenylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1021327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).