5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

C22H21N3O2S — CID 56520840

IUPAC5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccccc4C)C3=O)cs2)cc1
InChIInChI=1S/C22H21N3O2S/c1-14-8-10-16(11-9-14)19-23-17(13-28-19)12-25-20(26)22(3,24-21(25)27)18-7-5-4-6-15(18)2/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyTYTVLEBMOZEHCV-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.39
Rot. Bonds4

About 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 56520840) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID56520840
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccccc4C)C3=O)cs2)cc1
InChIInChI=1S/C22H21N3O2S/c1-14-8-10-16(11-9-14)19-23-17(13-28-19)12-25-20(26)22(3,24-21(25)27)18-7-5-4-6-15(18)2/h4-11,13H,12H2,1-3H3,(H,24,27)
InChIKeyTYTVLEBMOZEHCV-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56522111
(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51537328
3'-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55327301
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 2122122
5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55356802
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
(4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 52908678
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 40856927
(5S)-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 94825622
5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 51108851

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 56520840) is 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccccc4C)C3=O)cs2)cc1.
What is the InChIKey of 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is TYTVLEBMOZEHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14-8-10-16(11-9-14)19-23-17(13-28-19)12-25-20(26)22(3,24-21(25)27)18-7-5-4-6-15(18)2/h4-11,13H,12H2,1-3H3,(H,24,27).
What are the key properties of 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 391.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56520840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).