4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C14H16F3N3O — CID 138389199

IUPAC4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O/c1-8(2)7-20-11(12(18)19-13(20)21)9-4-3-5-10(6-9)14(15,16)17/h3-6,8,11H,7H2,1-2H3,(H2,18,19,21)
InChIKeyYETAUTPKCOPWLI-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.40
Rot. Bonds3

About 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 138389199) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID138389199
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O/c1-8(2)7-20-11(12(18)19-13(20)21)9-4-3-5-10(6-9)14(15,16)17/h3-6,8,11H,7H2,1-2H3,(H2,18,19,21)
InChIKeyYETAUTPKCOPWLI-UHFFFAOYSA-N
XLogP3.40
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.40
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 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 138389199) is 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is YETAUTPKCOPWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8(2)7-20-11(12(18)19-13(20)21)9-4-3-5-10(6-9)14(15,16)17/h3-6,8,11H,7H2,1-2H3,(H2,18,19,21).
What are the key properties of 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 138389199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).