3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione

C10H18N2O2 — CID 149004673

IUPAC3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione
SMILESC[C@H](CN1C(=O)CNC1=O)C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-7(10(2,3)4)6-12-8(13)5-11-9(12)14/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1
InChIKeyQAIKILAMOXINAD-SSDOTTSWSA-N
MW198.27 g/mol
LogP1.22
Rot. Bonds2

About 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione

3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione (PubChem CID 149004673) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione
PubChem CID149004673
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione
SMILESC[C@H](CN1C(=O)CNC1=O)C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-7(10(2,3)4)6-12-8(13)5-11-9(12)14/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1
InChIKeyQAIKILAMOXINAD-SSDOTTSWSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione (CID 149004673) is 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione is C[C@H](CN1C(=O)CNC1=O)C(C)(C)C.
What is the InChIKey of 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione?
The InChIKey is QAIKILAMOXINAD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(10(2,3)4)6-12-8(13)5-11-9(12)14/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1.
What are the key properties of 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione?
3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 149004673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).