1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one

C11H13BrClN3O — CID 81271578

IUPAC1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClN3O/c12-9-7-8(13)1-2-10(9)14-3-5-16-6-4-15-11(16)17/h1-2,7,14H,3-6H2,(H,15,17)
InChIKeyYOWTZUPTEVQAFL-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one

1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one (PubChem CID 81271578) has the molecular formula C11H13BrClN3O and a molecular weight of 318.60 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
PubChem CID81271578
Molecular FormulaC11H13BrClN3O
Molecular Weight318.60 g/mol
Exact Mass316.99
IUPAC Name1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClN3O/c12-9-7-8(13)1-2-10(9)14-3-5-16-6-4-15-11(16)17/h1-2,7,14H,3-6H2,(H,15,17)
InChIKeyYOWTZUPTEVQAFL-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one (CID 81271578) is 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ccc(Cl)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one?
The InChIKey is YOWTZUPTEVQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O/c12-9-7-8(13)1-2-10(9)14-3-5-16-6-4-15-11(16)17/h1-2,7,14H,3-6H2,(H,15,17).
What are the key properties of 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one?
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one has a molecular weight of 318.60 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 81271578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).