5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one

C12H13F2N3O2 — CID 138390678

IUPAC5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H13F2N3O2/c1-2-17-9(10(15)16-12(17)18)7-3-5-8(6-4-7)19-11(13)14/h3-6,9,11H,2H2,1H3,(H2,15,16,18)
InChIKeyWBIFMTIUEKOXCW-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.35
Rot. Bonds4

About 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one

5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one (PubChem CID 138390678) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
PubChem CID138390678
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H13F2N3O2/c1-2-17-9(10(15)16-12(17)18)7-3-5-8(6-4-7)19-11(13)14/h3-6,9,11H,2H2,1H3,(H2,15,16,18)
InChIKeyWBIFMTIUEKOXCW-UHFFFAOYSA-N
XLogP2.35
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one (CID 138390678) is 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one?
The InChIKey is WBIFMTIUEKOXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-2-17-9(10(15)16-12(17)18)7-3-5-8(6-4-7)19-11(13)14/h3-6,9,11H,2H2,1H3,(H2,15,16,18).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one?
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one has a molecular weight of 269.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138390678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).