3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

C18H20N2O3S — CID 111476750

IUPAC3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)NC(C)(c3ccsc3)C2=O)c1
InChIInChI=1S/C18H20N2O3S/c1-11-6-12(2)8-13(7-11)15(21)9-20-16(22)18(3,19-17(20)23)14-4-5-24-10-14/h4-8,10,15,21H,9H2,1-3H3,(H,19,23)
InChIKeyLVRPXLNQPUDKRN-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.87
Rot. Bonds4

About 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 111476750) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID111476750
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)NC(C)(c3ccsc3)C2=O)c1
InChIInChI=1S/C18H20N2O3S/c1-11-6-12(2)8-13(7-11)15(21)9-20-16(22)18(3,19-17(20)23)14-4-5-24-10-14/h4-8,10,15,21H,9H2,1-3H3,(H,19,23)
InChIKeyLVRPXLNQPUDKRN-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 95323284
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 51106602
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 111476758
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 124573291
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 111476310
N-benzhydryl-N-methyl-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 60617468
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52507734
5-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)-5-methylimidazolidine-2,4-dione
CID 17478863
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617583

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (CID 111476750) is 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is Cc1cc(C)cc(C(O)CN2C(=O)NC(C)(c3ccsc3)C2=O)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is LVRPXLNQPUDKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-6-12(2)8-13(7-11)15(21)9-20-16(22)18(3,19-17(20)23)14-4-5-24-10-14/h4-8,10,15,21H,9H2,1-3H3,(H,19,23).
What are the key properties of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 344.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 111476750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).