1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one

C9H9F2N3O — CID 143030697

IUPAC1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one
SMILESNc1cc(F)c(N2CNC(=O)C2)c(F)c1
InChIInChI=1S/C9H9F2N3O/c10-6-1-5(12)2-7(11)9(6)14-3-8(15)13-4-14/h1-2H,3-4,12H2,(H,13,15)
InChIKeyAGQNNZDZMHMWOE-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.44
Rot. Bonds1

About 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one

1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one (PubChem CID 143030697) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one
PubChem CID143030697
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one
SMILESNc1cc(F)c(N2CNC(=O)C2)c(F)c1
InChIInChI=1S/C9H9F2N3O/c10-6-1-5(12)2-7(11)9(6)14-3-8(15)13-4-14/h1-2H,3-4,12H2,(H,13,15)
InChIKeyAGQNNZDZMHMWOE-UHFFFAOYSA-N
XLogP0.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-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-2,6-difluorophenyl)imidazolidin-4-one?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one (CID 143030697) is 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one is Nc1cc(F)c(N2CNC(=O)C2)c(F)c1.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one?
The InChIKey is AGQNNZDZMHMWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-6-1-5(12)2-7(11)9(6)14-3-8(15)13-4-14/h1-2H,3-4,12H2,(H,13,15).
What are the key properties of 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one?
1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one has a molecular weight of 213.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-difluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 143030697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).