1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one

C10H12FN3O — CID 82276529

IUPAC1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(N)cc2F)C1=O
InChIInChI=1S/C10H12FN3O/c1-13-4-5-14(10(13)15)9-3-2-7(12)6-8(9)11/h2-3,6H,4-5,12H2,1H3
InChIKeyJJGWCVJNFRWASN-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.28
Rot. Bonds1

About 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one

1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 82276529) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one
PubChem CID82276529
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(N)cc2F)C1=O
InChIInChI=1S/C10H12FN3O/c1-13-4-5-14(10(13)15)9-3-2-7(12)6-8(9)11/h2-3,6H,4-5,12H2,1H3
InChIKeyJJGWCVJNFRWASN-UHFFFAOYSA-N
XLogP1.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-amino-2-fluorophenyl)-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-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one (CID 82276529) is 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one is CN1CCN(c2ccc(N)cc2F)C1=O.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is JJGWCVJNFRWASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-13-4-5-14(10(13)15)9-3-2-7(12)6-8(9)11/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one?
1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 82276529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).