(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane

C23H42N6O6 — CID 157196996

IUPAC(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane
SMILESCC(C)C.C[C@@H]1C(=O)NC(=O)N1C(C)(C)C.C[C@H]1C(=O)NC(=O)N1C(C)(C)C.O=C1CNC(=O)N1
InChIInChI=1S/2C8H14N2O2.C4H10.C3H4N2O2/c2*1-5-6(11)9-7(12)10(5)8(2,3)4;1-4(2)3;6-2-1-4-3(7)5-2/h2*5H,1-4H3,(H,9,11,12);4H,1-3H3;1H2,(H2,4,5,6,7)/t2*5-;;/m10../s1
InChIKeyAQJBFWCCBZLVRD-IOHDCEMHSA-N
MW498.63 g/mol
LogP1.94
Rot. Bonds

About (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane

(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane (PubChem CID 157196996) has the molecular formula C23H42N6O6 and a molecular weight of 498.63 g/mol. Its IUPAC name is (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane.

Molecular Properties

Compound Name(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane
PubChem CID157196996
Molecular FormulaC23H42N6O6
Molecular Weight498.63 g/mol
Exact Mass498.32
IUPAC Name(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane
SMILESCC(C)C.C[C@@H]1C(=O)NC(=O)N1C(C)(C)C.C[C@H]1C(=O)NC(=O)N1C(C)(C)C.O=C1CNC(=O)N1
InChIInChI=1S/2C8H14N2O2.C4H10.C3H4N2O2/c2*1-5-6(11)9-7(12)10(5)8(2,3)4;1-4(2)3;6-2-1-4-3(7)5-2/h2*5H,1-4H3,(H,9,11,12);4H,1-3H3;1H2,(H2,4,5,6,7)/t2*5-;;/m10../s1
InChIKeyAQJBFWCCBZLVRD-IOHDCEMHSA-N
XLogP1.94
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane 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

Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-
CID 98587
1,4-Bis(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butane
CID 598298
1-(2-Methylpropyl)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4,5-trione
CID 17549060
3-(2-Aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 14008502
3-[2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 14494276
3-(2-Aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione;dihydrochloride
CID 20187837
1-[4-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)butyl]-5,5-dimethylimidazolidine-2,4-dione
CID 20530787
1-[2-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 21468206
1-[1-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 21468207
2,2,5,5-Tetramethyl-3-[4-(2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)butyl]imidazolidin-4-one
CID 21520786
2,2,5,5-Tetramethyl-3-[2-(2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethyl]imidazolidin-4-one
CID 21520791
2-(2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)-N-[2-[[2-(2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)acetyl]amino]ethyl]acetamide
CID 21520804

Frequently Asked Questions

What is the IUPAC name of (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane?
The IUPAC name of (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane (CID 157196996) is (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane.
What is the SMILES notation for (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane?
The canonical SMILES for (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane is CC(C)C.C[C@@H]1C(=O)NC(=O)N1C(C)(C)C.C[C@H]1C(=O)NC(=O)N1C(C)(C)C.O=C1CNC(=O)N1.
What is the InChIKey of (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane?
The InChIKey is AQJBFWCCBZLVRD-IOHDCEMHSA-N. The full InChI is InChI=1S/2C8H14N2O2.C4H10.C3H4N2O2/c2*1-5-6(11)9-7(12)10(5)8(2,3)4;1-4(2)3;6-2-1-4-3(7)5-2/h2*5H,1-4H3,(H,9,11,12);4H,1-3H3;1H2,(H2,4,5,6,7)/t2*5-;;/m10../s1.
What are the key properties of (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane?
(5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane has a molecular weight of 498.63 g/mol, XLogP of 1.94, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-tert-butyl-5-methylimidazolidine-2,4-dione;(5R)-1-tert-butyl-5-methylimidazolidine-2,4-dione;imidazolidine-2,4-dione;2-methylpropane is sourced from PubChem (CID 157196996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).