5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one

C12H14FN3O — CID 138388301

IUPAC5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-6-16-10(11(14)15-12(16)17)8-4-3-5-9(13)7-8/h3-5,7,10H,2,6H2,1H3,(H2,14,15,17)
InChIKeyJKFFNKWXLPAOBJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.28
Rot. Bonds3

About 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one

5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one (PubChem CID 138388301) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one
PubChem CID138388301
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-6-16-10(11(14)15-12(16)17)8-4-3-5-9(13)7-8/h3-5,7,10H,2,6H2,1H3,(H2,14,15,17)
InChIKeyJKFFNKWXLPAOBJ-UHFFFAOYSA-N
XLogP2.28
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.28
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 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one?
The IUPAC name of 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one (CID 138388301) is 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one?
The InChIKey is JKFFNKWXLPAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-6-16-10(11(14)15-12(16)17)8-4-3-5-9(13)7-8/h3-5,7,10H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one?
5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-imino-1-propylimidazolidin-2-one is sourced from PubChem (CID 138388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).