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

C11H10F3N3O — CID 138388996

IUPAC4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-17-8(9(15)16-10(17)18)6-3-2-4-7(5-6)11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyIYPYGOLCJFYEMD-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.38
Rot. Bonds1

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

4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 138388996) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID138388996
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-17-8(9(15)16-10(17)18)6-3-2-4-7(5-6)11(12,13)14/h2-5,8H,1H3,(H2,15,16,18)
InChIKeyIYPYGOLCJFYEMD-UHFFFAOYSA-N
XLogP2.38
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.38
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-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 138388996) is 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is IYPYGOLCJFYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-8(9(15)16-10(17)18)6-3-2-4-7(5-6)11(12,13)14/h2-5,8H,1H3,(H2,15,16,18).
What are the key properties of 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 257.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 138388996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).