1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one

C16H12BrF3N2O — CID 126696578

IUPAC1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2cc(F)ccc2F)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H12BrF3N2O/c17-13-3-2-12(8-15(13)20)22-6-5-21(16(22)23)9-10-7-11(18)1-4-14(10)19/h1-4,7-8H,5-6,9H2
InChIKeyQIRCDLPXWWPFBP-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one

1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one (PubChem CID 126696578) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one
PubChem CID126696578
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2cc(F)ccc2F)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H12BrF3N2O/c17-13-3-2-12(8-15(13)20)22-6-5-21(16(22)23)9-10-7-11(18)1-4-14(10)19/h1-4,7-8H,5-6,9H2
InChIKeyQIRCDLPXWWPFBP-UHFFFAOYSA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-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-[(2,5-difluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one (CID 126696578) is 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one is O=C1N(Cc2cc(F)ccc2F)CCN1c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is QIRCDLPXWWPFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c17-13-3-2-12(8-15(13)20)22-6-5-21(16(22)23)9-10-7-11(18)1-4-14(10)19/h1-4,7-8H,5-6,9H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one?
1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 385.18 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 126696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).