5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one

C11H11BrClN3O — CID 138390755

IUPAC5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C11H11BrClN3O/c1-2-16-9(10(14)15-11(16)17)7-5-6(13)3-4-8(7)12/h3-5,9H,2H2,1H3,(H2,14,15,17)
InChIKeyAFZLHZVJESXJCI-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.17
Rot. Bonds2

About 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one

5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one (PubChem CID 138390755) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one
PubChem CID138390755
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C11H11BrClN3O/c1-2-16-9(10(14)15-11(16)17)7-5-6(13)3-4-8(7)12/h3-5,9H,2H2,1H3,(H2,14,15,17)
InChIKeyAFZLHZVJESXJCI-UHFFFAOYSA-N
XLogP3.17
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.17
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-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The IUPAC name of 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one (CID 138390755) is 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one.
What is the SMILES notation for 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The canonical SMILES for 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1cc(Cl)ccc1Br.
What is the InChIKey of 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The InChIKey is AFZLHZVJESXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-2-16-9(10(14)15-11(16)17)7-5-6(13)3-4-8(7)12/h3-5,9H,2H2,1H3,(H2,14,15,17).
What are the key properties of 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one?
5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one has a molecular weight of 316.59 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138390755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).