5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione

C17H24N2O3 — CID 3324909

IUPAC5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)6-4-5-11-22-14-9-7-13(8-10-14)17(3)15(20)18-16(21)19-17/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,21)
InChIKeySXOWNBOULSRZNG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.95
Rot. Bonds7

About 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione

5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 3324909) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
PubChem CID3324909
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)6-4-5-11-22-14-9-7-13(8-10-14)17(3)15(20)18-16(21)19-17/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,21)
InChIKeySXOWNBOULSRZNG-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione
CID 6569964
2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid
CID 124523212
3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
CID 2835308
(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
CID 691223
(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 4962033
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
CID 838462
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
4-(4-methylpentoxy)benzoic acid
CID 22645282
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione (CID 3324909) is 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione is CC(C)CCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is SXOWNBOULSRZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)6-4-5-11-22-14-9-7-13(8-10-14)17(3)15(20)18-16(21)19-17/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione?
5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 304.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3324909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).