5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione

C14H18N2O2 — CID 82130700

IUPAC5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCC(C)c1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-4-9(2)10-5-7-11(8-6-10)14(3)12(17)15-13(18)16-14/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyGZXDGNRPOOPLSH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds3

About 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione

5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 82130700) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID82130700
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCC(C)c1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-4-9(2)10-5-7-11(8-6-10)14(3)12(17)15-13(18)16-14/h5-9H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeyGZXDGNRPOOPLSH-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-5-[4-(3-methylbutyl)phenyl]imidazolidine-2,4-dione
CID 767950
(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
CID 3324909
(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione
CID 6569964
(5S)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595878
5-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 82302673
(5S)-5-[4-[4-[amino(methyl)amino]phenyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 143510584
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595738
3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190642
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
1-butan-2-yl-4-fluorobenzene
CID 11829648
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione (CID 82130700) is 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione is CCC(C)c1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is GZXDGNRPOOPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9(2)10-5-7-11(8-6-10)14(3)12(17)15-13(18)16-14/h5-9H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione?
5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82130700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).