5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one

C13H15ClFN3O — CID 138388787

IUPAC5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O/c1-7(2)6-18-11(12(16)17-13(18)19)10-8(14)4-3-5-9(10)15/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19)
InChIKeyOJEHJRRWSRHTOA-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.18
Rot. Bonds3

About 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one

5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one (PubChem CID 138388787) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
PubChem CID138388787
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O/c1-7(2)6-18-11(12(16)17-13(18)19)10-8(14)4-3-5-9(10)15/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19)
InChIKeyOJEHJRRWSRHTOA-UHFFFAOYSA-N
XLogP3.18
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.18
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-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one (CID 138388787) is 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1c1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is OJEHJRRWSRHTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-7(2)6-18-11(12(16)17-13(18)19)10-8(14)4-3-5-9(10)15/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one?
5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 283.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-4-imino-1-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 138388787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).