5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C12H12F3N3O3 — CID 115282378

IUPAC5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H12F3N3O3/c1-7-11(19)17(6-12(13,14)15)10(16-7)8-2-4-9(5-3-8)18(20)21/h2-5,7,10,16H,6H2,1H3
InChIKeyIWVSVXLKBGGMSN-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.98
Rot. Bonds3

About 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 115282378) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID115282378
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H12F3N3O3/c1-7-11(19)17(6-12(13,14)15)10(16-7)8-2-4-9(5-3-8)18(20)21/h2-5,7,10,16H,6H2,1H3
InChIKeyIWVSVXLKBGGMSN-UHFFFAOYSA-N
XLogP1.98
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83239066
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one
CID 83247059
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162
3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244729
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 115282378) is 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC1NC(c2ccc([N+](=O)[O-])cc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is IWVSVXLKBGGMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c1-7-11(19)17(6-12(13,14)15)10(16-7)8-2-4-9(5-3-8)18(20)21/h2-5,7,10,16H,6H2,1H3.
What are the key properties of 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 303.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 115282378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).