5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C15H15F3N2O2 — CID 84601768

IUPAC5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C15H15F3N2O2/c1-14(10-6-7-10)12(21)20(13(22)19-14)8-9-4-2-3-5-11(9)15(16,17)18/h2-5,10H,6-8H2,1H3,(H,19,22)
InChIKeyQAOJOIHKSBHDPE-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.93
Rot. Bonds3

About 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 84601768) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID84601768
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C15H15F3N2O2/c1-14(10-6-7-10)12(21)20(13(22)19-14)8-9-4-2-3-5-11(9)15(16,17)18/h2-5,10H,6-8H2,1H3,(H,19,22)
InChIKeyQAOJOIHKSBHDPE-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

Ethotoin
CID 3292
Mephenytoin
CID 4060
Mephenytoin, (+)-
CID 107921
Methetoin
CID 21908
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
(2S)-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 74221131
(2R)-N-[[(4R)-4-cyclopropyl-2,5-dioxo-imidazolidin-4-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 73603957
(2R)-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 74221194
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
Mephenytoin, (-)-
CID 119127

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 84601768) is 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is QAOJOIHKSBHDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-14(10-6-7-10)12(21)20(13(22)19-14)8-9-4-2-3-5-11(9)15(16,17)18/h2-5,10H,6-8H2,1H3,(H,19,22).
What are the key properties of 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 312.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 84601768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).