5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione

C17H15BrFN3O2 — CID 167944080

IUPAC5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(c2cncc(F)c2)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrFN3O2/c1-10(2)21-15(11-3-5-12(18)6-4-11)16(23)22(17(21)24)14-7-13(19)8-20-9-14/h3-10,15H,1-2H3
InChIKeyVALYGGKTCSEZAN-UHFFFAOYSA-N
MW392.23 g/mol
LogP3.90
Rot. Bonds3

About 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione (PubChem CID 167944080) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
PubChem CID167944080
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(c2cncc(F)c2)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrFN3O2/c1-10(2)21-15(11-3-5-12(18)6-4-11)16(23)22(17(21)24)14-7-13(19)8-20-9-14/h3-10,15H,1-2H3
InChIKeyVALYGGKTCSEZAN-UHFFFAOYSA-N
XLogP3.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione 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 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione (CID 167944080) is 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)N(c2cncc(F)c2)C(=O)C1c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is VALYGGKTCSEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c1-10(2)21-15(11-3-5-12(18)6-4-11)16(23)22(17(21)24)14-7-13(19)8-20-9-14/h3-10,15H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 392.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 167944080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).