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

C14H14F3N3O2 — CID 2644136

IUPAC(5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(N=Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C14H14F3N3O2/c1-3-13(2)11(21)20(12(22)19-13)18-8-9-4-6-10(7-5-9)14(15,16)17/h4-8H,3H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyTUSDBMUVULESBV-ZDUSSCGKSA-N
MW313.28 g/mol
LogP2.76
Rot. Bonds3

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

(5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 2644136) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID2644136
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(N=Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C14H14F3N3O2/c1-3-13(2)11(21)20(12(22)19-13)18-8-9-4-6-10(7-5-9)14(15,16)17/h4-8H,3H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyTUSDBMUVULESBV-ZDUSSCGKSA-N
XLogP2.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Benzylideneaminohydantoin
CID 6871263
5-ethyl-5-methyl-3-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 16293573
5-ethyl-5-methyl-3-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]imidazolidine-2,4-dione
CID 16292933
(E)-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide
CID 5346859
5-Ethyl-5-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 72035009
1-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 9789982
1-[[3-(Trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 70560770
3-[(E)-(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 154931730
3-[(4-Fluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 154931732
1-[(Z)-benzylideneamino]imidazolidine-2,4-dione
CID 5409154
3-(Benzylideneamino)-2,4-imidazolidinedione
CID 13133643
3-[(4-Methylbenzylidene)amino]-5-propylimidazolidine-2,4-dione
CID 155292888

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (CID 2644136) is (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is CC[C@]1(C)NC(=O)N(N=Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is TUSDBMUVULESBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-3-13(2)11(21)20(12(22)19-13)18-8-9-4-6-10(7-5-9)14(15,16)17/h4-8H,3H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 313.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 2644136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).