5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one

C13H17FN4O — CID 136925049

IUPAC5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
SMILESCCC1(c2ccc(F)cn2)N/C(=N/C(C)C)NC1=O
InChIInChI=1S/C13H17FN4O/c1-4-13(10-6-5-9(14)7-15-10)11(19)17-12(18-13)16-8(2)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyJSJZCTQJIWTSMA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.31
Rot. Bonds3

About 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one

5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one (PubChem CID 136925049) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
PubChem CID136925049
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
SMILESCCC1(c2ccc(F)cn2)N/C(=N/C(C)C)NC1=O
InChIInChI=1S/C13H17FN4O/c1-4-13(10-6-5-9(14)7-15-10)11(19)17-12(18-13)16-8(2)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyJSJZCTQJIWTSMA-UHFFFAOYSA-N
XLogP1.31
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
CID 136925050
4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
CID 112586653
2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
CID 112586926
4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 112586789
5-ethyl-5-(2-fluorophenyl)-2-(2-methylpropylimino)imidazolidin-4-one
CID 136995908
4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 112586788
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
5-ethyl-2-(4-fluorophenyl)imino-5-[(2R)-pentan-2-yl]-1,3-diazinane-4,6-dione
CID 135571219
4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
CID 83128324
methyl 3-(5-fluoro-2-pyridinyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate
CID 83129352
ethyl 3-ethyl-3-(5-fluoro-2-pyridinyl)oxirane-2-carboxylate
CID 112586733
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazolidine-2,4-dione
CID 42938170

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one (CID 136925049) is 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one is CCC1(c2ccc(F)cn2)N/C(=N/C(C)C)NC1=O.
What is the InChIKey of 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one?
The InChIKey is JSJZCTQJIWTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-4-13(10-6-5-9(14)7-15-10)11(19)17-12(18-13)16-8(2)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one?
5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one has a molecular weight of 264.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one is sourced from PubChem (CID 136925049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).