(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione

C17H24N2O2S — CID 7180813

IUPAC(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N[C@](C)(CCC(C)C)C2=O)cc1
InChIInChI=1S/C17H24N2O2S/c1-12(2)9-10-17(3)15(20)19(16(21)18-17)11-13-5-7-14(22-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,18,21)/t17-/m1/s1
InChIKeyOJTLBDCXOYBKCN-QGZVFWFLSA-N
MW320.46 g/mol
LogP3.66
Rot. Bonds6

About (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7180813) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID7180813
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
SMILESCSc1ccc(CN2C(=O)N[C@](C)(CCC(C)C)C2=O)cc1
InChIInChI=1S/C17H24N2O2S/c1-12(2)9-10-17(3)15(20)19(16(21)18-17)11-13-5-7-14(22-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,18,21)/t17-/m1/s1
InChIKeyOJTLBDCXOYBKCN-QGZVFWFLSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]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

(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
5-methyl-3-[(4-methylsulfanylphenyl)methyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 24608768
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 7180691
(5R)-3-[(4-methylsulfanylphenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31276425
(5R)-5-methyl-5-(3-methylbutyl)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione
CID 9172294
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804611
N-benzyl-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180750
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 94812862
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7988392

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione (CID 7180813) is (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione is CSc1ccc(CN2C(=O)N[C@](C)(CCC(C)C)C2=O)cc1.
What is the InChIKey of (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is OJTLBDCXOYBKCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(2)9-10-17(3)15(20)19(16(21)18-17)11-13-5-7-14(22-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,18,21)/t17-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 320.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7180813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).