2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid

C17H12F4N2O3 — CID 10044520

IUPAC2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cc(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)ccc1F
InChIInChI=1S/C17H12F4N2O3/c18-14-6-5-12(9-13(14)15(24)25)23-8-7-22(16(23)26)11-3-1-10(2-4-11)17(19,20)21/h1-6,9H,7-8H2,(H,24,25)
InChIKeyNZNBMZRGMKBTBN-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.99
Rot. Bonds3

About 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid

2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid (PubChem CID 10044520) has the molecular formula C17H12F4N2O3 and a molecular weight of 368.29 g/mol. Its IUPAC name is 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
PubChem CID10044520
Molecular FormulaC17H12F4N2O3
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
SMILESO=C(O)c1cc(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)ccc1F
InChIInChI=1S/C17H12F4N2O3/c18-14-6-5-12(9-13(14)15(24)25)23-8-7-22(16(23)26)11-3-1-10(2-4-11)17(19,20)21/h1-6,9H,7-8H2,(H,24,25)
InChIKeyNZNBMZRGMKBTBN-UHFFFAOYSA-N
XLogP3.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
The IUPAC name of 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid (CID 10044520) is 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid is O=C(O)c1cc(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
The InChIKey is NZNBMZRGMKBTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O3/c18-14-6-5-12(9-13(14)15(24)25)23-8-7-22(16(23)26)11-3-1-10(2-4-11)17(19,20)21/h1-6,9H,7-8H2,(H,24,25).
What are the key properties of 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid?
2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid has a molecular weight of 368.29 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid is sourced from PubChem (CID 10044520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).