3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C16H22N2O3 — CID 111825021

IUPAC3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CCC(C)(C)O)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-11-5-7-12(8-6-11)16(4)13(19)18(14(20)17-16)10-9-15(2,3)21/h5-8,21H,9-10H2,1-4H3,(H,17,20)
InChIKeyVEDZLMGMJRYQPO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.92
Rot. Bonds4

About 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 111825021) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID111825021
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CCC(C)(C)O)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-11-5-7-12(8-6-11)16(4)13(19)18(14(20)17-16)10-9-15(2,3)21/h5-8,21H,9-10H2,1-4H3,(H,17,20)
InChIKeyVEDZLMGMJRYQPO-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
CID 18266875
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 82096824
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120659910

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 111825021) is 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CCC(C)(C)O)C2=O)cc1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is VEDZLMGMJRYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-7-12(8-6-11)16(4)13(19)18(14(20)17-16)10-9-15(2,3)21/h5-8,21H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 111825021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).