2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid

C14H12ClF3N2O4 — CID 59536810

IUPAC2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O
InChIInChI=1S/C14H12ClF3N2O4/c15-9-3-1-8(2-4-9)10-5-19(7-12(22)23)13(24)20(10)6-11(21)14(16,17)18/h1-5,11,21H,6-7H2,(H,22,23)
InChIKeyLPLUFRMKGDLYDN-UHFFFAOYSA-N
MW364.71 g/mol
LogP1.98
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid

2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid (PubChem CID 59536810) has the molecular formula C14H12ClF3N2O4 and a molecular weight of 364.71 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid
PubChem CID59536810
Molecular FormulaC14H12ClF3N2O4
Molecular Weight364.71 g/mol
Exact Mass364.04
IUPAC Name2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O
InChIInChI=1S/C14H12ClF3N2O4/c15-9-3-1-8(2-4-9)10-5-19(7-12(22)23)13(24)20(10)6-11(21)14(16,17)18/h1-5,11,21H,6-7H2,(H,22,23)
InChIKeyLPLUFRMKGDLYDN-UHFFFAOYSA-N
XLogP1.98
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid (CID 59536810) is 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid is O=C(O)Cn1cc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid?
The InChIKey is LPLUFRMKGDLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O4/c15-9-3-1-8(2-4-9)10-5-19(7-12(22)23)13(24)20(10)6-11(21)14(16,17)18/h1-5,11,21H,6-7H2,(H,22,23).
What are the key properties of 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid has a molecular weight of 364.71 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 59536810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).