2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one

C13H15FN4O — CID 136925050

IUPAC2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
SMILESCCC1(c2ccc(F)cn2)N/C(=N/C2CC2)NC1=O
InChIInChI=1S/C13H15FN4O/c1-2-13(10-6-3-8(14)7-15-10)11(19)17-12(18-13)16-9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H2,16,17,18,19)
InChIKeyUBHFOUMNAIYFQG-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.06
Rot. Bonds3

About 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one

2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one (PubChem CID 136925050) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
PubChem CID136925050
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
SMILESCCC1(c2ccc(F)cn2)N/C(=N/C2CC2)NC1=O
InChIInChI=1S/C13H15FN4O/c1-2-13(10-6-3-8(14)7-15-10)11(19)17-12(18-13)16-9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H2,16,17,18,19)
InChIKeyUBHFOUMNAIYFQG-UHFFFAOYSA-N
XLogP1.06
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.06
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 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one?
The IUPAC name of 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one (CID 136925050) is 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one.
What is the SMILES notation for 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one?
The canonical SMILES for 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one is CCC1(c2ccc(F)cn2)N/C(=N/C2CC2)NC1=O.
What is the InChIKey of 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one?
The InChIKey is UBHFOUMNAIYFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-2-13(10-6-3-8(14)7-15-10)11(19)17-12(18-13)16-9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one?
2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one has a molecular weight of 262.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one is sourced from PubChem (CID 136925050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).