(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione

C15H20N2O3 — CID 838462

IUPAC(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-20-12-7-5-11(6-8-12)15(3)13(18)17(4)14(19)16-15/h5-8,10H,9H2,1-4H3,(H,16,19)/t15-/m0/s1
InChIKeyFFXGSANWXGHEMO-HNNXBMFYSA-N
MW276.34 g/mol
LogP2.12
Rot. Bonds4

About (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione

(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 838462) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
PubChem CID838462
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-20-12-7-5-11(6-8-12)15(3)13(18)17(4)14(19)16-15/h5-8,10H,9H2,1-4H3,(H,16,19)/t15-/m0/s1
InChIKeyFFXGSANWXGHEMO-HNNXBMFYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3,5-dimethyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60585647
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate
CID 3100381
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
(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
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54778341

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (CID 838462) is (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is CC(C)COc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1.
What is the InChIKey of (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is FFXGSANWXGHEMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)9-20-12-7-5-11(6-8-12)15(3)13(18)17(4)14(19)16-15/h5-8,10H,9H2,1-4H3,(H,16,19)/t15-/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 838462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).