(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione

C19H28N2O3 — CID 6569964

IUPAC(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCCCCCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C19H28N2O3/c1-14(2)8-6-4-5-7-13-24-16-11-9-15(10-12-16)19(3)17(22)20-18(23)21-19/h9-12,14H,4-8,13H2,1-3H3,(H2,20,21,22,23)/t19-/m0/s1
InChIKeyZNLZRICMGAJIBK-IBGZPJMESA-N
MW332.44 g/mol
LogP3.73
Rot. Bonds9

About (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 6569964) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione
PubChem CID6569964
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)CCCCCCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C19H28N2O3/c1-14(2)8-6-4-5-7-13-24-16-11-9-15(10-12-16)19(3)17(22)20-18(23)21-19/h9-12,14H,4-8,13H2,1-3H3,(H2,20,21,22,23)/t19-/m0/s1
InChIKeyZNLZRICMGAJIBK-IBGZPJMESA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.73
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'}

Analyze (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
CID 3324909
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
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
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
3-[[4-(16-methylheptadecoxy)benzoyl]amino]propanoic acid
CID 139715406
5-[4-(7-methyloctoxy)phenyl]-2-nonoxypyrimidine
CID 67864487

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione (CID 6569964) is (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione is CC(C)CCCCCCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is ZNLZRICMGAJIBK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)8-6-4-5-7-13-24-16-11-9-15(10-12-16)19(3)17(22)20-18(23)21-19/h9-12,14H,4-8,13H2,1-3H3,(H2,20,21,22,23)/t19-/m0/s1.
What are the key properties of (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 332.44 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[4-(7-methyloctoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 6569964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).