3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C18H26N2O3 — CID 111476310

IUPAC3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)NC(C)(CC(C)C)C2=O)c1
InChIInChI=1S/C18H26N2O3/c1-11(2)9-18(5)16(22)20(17(23)19-18)10-15(21)14-7-12(3)6-13(4)8-14/h6-8,11,15,21H,9-10H2,1-5H3,(H,19,23)
InChIKeyYOGARSHXCZBYNL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 111476310) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID111476310
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)NC(C)(CC(C)C)C2=O)c1
InChIInChI=1S/C18H26N2O3/c1-11(2)9-18(5)16(22)20(17(23)19-18)10-15(21)14-7-12(3)6-13(4)8-14/h6-8,11,15,21H,9-10H2,1-5H3,(H,19,23)
InChIKeyYOGARSHXCZBYNL-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 111476310) is 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is Cc1cc(C)cc(C(O)CN2C(=O)NC(C)(CC(C)C)C2=O)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is YOGARSHXCZBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)9-18(5)16(22)20(17(23)19-18)10-15(21)14-7-12(3)6-13(4)8-14/h6-8,11,15,21H,9-10H2,1-5H3,(H,19,23).
What are the key properties of 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 318.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 111476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).