2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one

C12H14FN3O — CID 136731241

IUPAC2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
SMILESCC/N=C1\NC(=O)C(c2cc(C)ccc2F)N1
InChIInChI=1S/C12H14FN3O/c1-3-14-12-15-10(11(17)16-12)8-6-7(2)4-5-9(8)13/h4-6,10H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyNFBHTEUVPKTNTR-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.27
Rot. Bonds2

About 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one

2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one (PubChem CID 136731241) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
PubChem CID136731241
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
SMILESCC/N=C1\NC(=O)C(c2cc(C)ccc2F)N1
InChIInChI=1S/C12H14FN3O/c1-3-14-12-15-10(11(17)16-12)8-6-7(2)4-5-9(8)13/h4-6,10H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyNFBHTEUVPKTNTR-UHFFFAOYSA-N
XLogP1.27
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.27
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 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one?
The IUPAC name of 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one (CID 136731241) is 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one is CC/N=C1\NC(=O)C(c2cc(C)ccc2F)N1.
What is the InChIKey of 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one?
The InChIKey is NFBHTEUVPKTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-14-12-15-10(11(17)16-12)8-6-7(2)4-5-9(8)13/h4-6,10H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one?
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 136731241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).