1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one

C11H11BrF2N2O — CID 106269469

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2c(F)ccc(Br)c2F)C1=O
InChIInChI=1S/C11H11BrF2N2O/c1-15-4-5-16(11(15)17)6-7-9(13)3-2-8(12)10(7)14/h2-3H,4-6H2,1H3
InChIKeyJVQTUOOZDLLVPH-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.59
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one

1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 106269469) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID106269469
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2c(F)ccc(Br)c2F)C1=O
InChIInChI=1S/C11H11BrF2N2O/c1-15-4-5-16(11(15)17)6-7-9(13)3-2-8(12)10(7)14/h2-3H,4-6H2,1H3
InChIKeyJVQTUOOZDLLVPH-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one (CID 106269469) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2c(F)ccc(Br)c2F)C1=O.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is JVQTUOOZDLLVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c1-15-4-5-16(11(15)17)6-7-9(13)3-2-8(12)10(7)14/h2-3H,4-6H2,1H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 305.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 106269469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).