[4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate

C17H12F4N2O3 — CID 58156667

IUPAC[4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate
SMILESO=COc1ccc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1
InChIInChI=1S/C17H12F4N2O3/c18-14-6-5-13(26-10-24)9-15(14)23-8-7-22(16(23)25)12-3-1-11(2-4-12)17(19,20)21/h1-6,9-10H,7-8H2
InChIKeyVZCUAFAREIBTQR-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.83
Rot. Bonds4

About [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate

[4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate (PubChem CID 58156667) has the molecular formula C17H12F4N2O3 and a molecular weight of 368.29 g/mol. Its IUPAC name is [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate.

Molecular Properties

Compound Name[4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate
PubChem CID58156667
Molecular FormulaC17H12F4N2O3
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name[4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate
SMILESO=COc1ccc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1
InChIInChI=1S/C17H12F4N2O3/c18-14-6-5-13(26-10-24)9-15(14)23-8-7-22(16(23)25)12-3-1-11(2-4-12)17(19,20)21/h1-6,9-10H,7-8H2
InChIKeyVZCUAFAREIBTQR-UHFFFAOYSA-N
XLogP3.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate?
The IUPAC name of [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate (CID 58156667) is [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate.
What is the SMILES notation for [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate?
The canonical SMILES for [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate is O=COc1ccc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1.
What is the InChIKey of [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate?
The InChIKey is VZCUAFAREIBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O3/c18-14-6-5-13(26-10-24)9-15(14)23-8-7-22(16(23)25)12-3-1-11(2-4-12)17(19,20)21/h1-6,9-10H,7-8H2.
What are the key properties of [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate?
[4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate has a molecular weight of 368.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl] formate is sourced from PubChem (CID 58156667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).