[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

C17H21F3N3O2+ — CID 9279347

IUPAC[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O
InChIInChI=1S/C17H20F3N3O2/c1-16(12-7-8-12)14(24)23(15(25)21-16)10-22(2)9-11-3-5-13(6-4-11)17(18,19)20/h3-6,12H,7-10H2,1-2H3,(H,21,25)/p+1/t16-/m1/s1
InChIKeyZXRXYALHJWBLDD-MRXNPFEDSA-O
MW356.37 g/mol
LogP1.40
Rot. Bonds5

About [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 9279347) has the molecular formula C17H21F3N3O2+ and a molecular weight of 356.37 g/mol. Its IUPAC name is [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID9279347
Molecular FormulaC17H21F3N3O2+
Molecular Weight356.37 g/mol
Exact Mass356.16
IUPAC Name[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O
InChIInChI=1S/C17H20F3N3O2/c1-16(12-7-8-12)14(24)23(15(25)21-16)10-22(2)9-11-3-5-13(6-4-11)17(18,19)20/h3-6,12H,7-10H2,1-2H3,(H,21,25)/p+1/t16-/m1/s1
InChIKeyZXRXYALHJWBLDD-MRXNPFEDSA-O
XLogP1.40
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.40
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

(5R)-5-cyclopropyl-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 94385279
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 29331962
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 40798579
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41411892
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
(5R)-5-cyclopropyl-3-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
CID 97339255
(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
CID 99781725
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 9279347) is [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is C[NH+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O.
What is the InChIKey of [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is ZXRXYALHJWBLDD-MRXNPFEDSA-O. The full InChI is InChI=1S/C17H20F3N3O2/c1-16(12-7-8-12)14(24)23(15(25)21-16)10-22(2)9-11-3-5-13(6-4-11)17(18,19)20/h3-6,12H,7-10H2,1-2H3,(H,21,25)/p+1/t16-/m1/s1.
What are the key properties of [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 356.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 9279347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).