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

C18H13F5N2O2 — CID 27687466

IUPAC(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H13F5N2O2/c1-17(13-8-12(19)5-6-14(13)20)15(26)25(16(27)24-17)9-10-3-2-4-11(7-10)18(21,22)23/h2-8H,9H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyVALMFUIGTQTNOU-KRWDZBQOSA-N
MW384.30 g/mol
LogP3.95
Rot. Bonds3

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

(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 27687466) has the molecular formula C18H13F5N2O2 and a molecular weight of 384.30 g/mol. Its IUPAC name is (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID27687466
Molecular FormulaC18H13F5N2O2
Molecular Weight384.30 g/mol
Exact Mass384.09
IUPAC Name(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C18H13F5N2O2/c1-17(13-8-12(19)5-6-14(13)20)15(26)25(16(27)24-17)9-10-3-2-4-11(7-10)18(21,22)23/h2-8H,9H2,1H3,(H,24,27)/t17-/m0/s1
InChIKeyVALMFUIGTQTNOU-KRWDZBQOSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43029260
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 46516528
(5R,9S)-7,7,9-trimethyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7830866
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 86992162

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 27687466) is (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is VALMFUIGTQTNOU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13F5N2O2/c1-17(13-8-12(19)5-6-14(13)20)15(26)25(16(27)24-17)9-10-3-2-4-11(7-10)18(21,22)23/h2-8H,9H2,1H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 384.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 27687466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).