1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one

C15H13BrFN3O — CID 126696678

IUPAC1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccccn1
InChIInChI=1S/C15H13BrFN3O/c1-19-14(13-4-2-3-7-18-13)9-20(15(19)21)10-5-6-11(16)12(17)8-10/h2-8,14H,9H2,1H3
InChIKeyPXEXSMHYXUSPPD-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one

1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one (PubChem CID 126696678) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one
PubChem CID126696678
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccccn1
InChIInChI=1S/C15H13BrFN3O/c1-19-14(13-4-2-3-7-18-13)9-20(15(19)21)10-5-6-11(16)12(17)8-10/h2-8,14H,9H2,1H3
InChIKeyPXEXSMHYXUSPPD-UHFFFAOYSA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-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-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one (CID 126696678) is 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one is CN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccccn1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one?
The InChIKey is PXEXSMHYXUSPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c1-19-14(13-4-2-3-7-18-13)9-20(15(19)21)10-5-6-11(16)12(17)8-10/h2-8,14H,9H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one?
1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one has a molecular weight of 350.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-methyl-4-pyridin-2-ylimidazolidin-2-one is sourced from PubChem (CID 126696678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).