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

C11H9F3N2O2 — CID 30121383

IUPAC(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)NC1=O
InChIInChI=1S/C11H9F3N2O2/c1-10(8(17)15-9(18)16-10)6-3-2-4-7(5-6)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKeyMYYXBLVXQKFVDI-JTQLQIEISA-N
MW258.20 g/mol
LogP1.76
Rot. Bonds1

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

(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 30121383) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID30121383
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)NC1=O
InChIInChI=1S/C11H9F3N2O2/c1-10(8(17)15-9(18)16-10)6-3-2-4-7(5-6)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKeyMYYXBLVXQKFVDI-JTQLQIEISA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55811816
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853
5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 166180357
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid
CID 134494746
3-(2-hydroxy-2-methylpropyl)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 110932550
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 162338446
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
(5R)-5-[3-[[3-[C-(2,4-dimethylphenyl)-N-methylcarbonimidoyl]-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 143191240
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120532567

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 30121383) is (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is MYYXBLVXQKFVDI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-10(8(17)15-9(18)16-10)6-3-2-4-7(5-6)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18)/t10-/m0/s1.
What are the key properties of (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 258.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 30121383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).