3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione

C13H12BrFN2O2 — CID 87022777

IUPAC3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2O2/c14-11-5-9(15)2-1-8(11)6-17-12(18)7-16(13(17)19)10-3-4-10/h1-2,5,10H,3-4,6-7H2
InChIKeyBTNVEEVBMANWJM-UHFFFAOYSA-N
MW327.15 g/mol
LogP2.51
Rot. Bonds3

About 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione

3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022777) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022777
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2O2/c14-11-5-9(15)2-1-8(11)6-17-12(18)7-16(13(17)19)10-3-4-10/h1-2,5,10H,3-4,6-7H2
InChIKeyBTNVEEVBMANWJM-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-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 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022777) is 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1ccc(F)cc1Br.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is BTNVEEVBMANWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c14-11-5-9(15)2-1-8(11)6-17-12(18)7-16(13(17)19)10-3-4-10/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 327.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).