5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

C12H12F3N3O — CID 145475187

IUPAC5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILES[H]/N=C1\N(CC(F)(F)F)C(=O)NC1(C)c1ccccc1
InChIInChI=1S/C12H12F3N3O/c1-11(8-5-3-2-4-6-8)9(16)18(10(19)17-11)7-12(13,14)15/h2-6,16H,7H2,1H3,(H,17,19)/b16-9-
InChIKeyMJMJJQMMHAYRSM-SXGWCWSVSA-N
MW271.24 g/mol
LogP2.47
Rot. Bonds2

About 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 145475187) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID145475187
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILES[H]/N=C1\N(CC(F)(F)F)C(=O)NC1(C)c1ccccc1
InChIInChI=1S/C12H12F3N3O/c1-11(8-5-3-2-4-6-8)9(16)18(10(19)17-11)7-12(13,14)15/h2-6,16H,7H2,1H3,(H,17,19)/b16-9-
InChIKeyMJMJJQMMHAYRSM-SXGWCWSVSA-N
XLogP2.47
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 145475187) is 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is [H]/N=C1\N(CC(F)(F)F)C(=O)NC1(C)c1ccccc1.
What is the InChIKey of 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is MJMJJQMMHAYRSM-SXGWCWSVSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-11(8-5-3-2-4-6-8)9(16)18(10(19)17-11)7-12(13,14)15/h2-6,16H,7H2,1H3,(H,17,19)/b16-9-.
What are the key properties of 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methyl-4-phenyl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 145475187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).