2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid

C11H7F3N2O3 — CID 103124436

IUPAC2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1-n1cc[nH]c1=O
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-2-8(7(5-6)9(17)18)16-4-3-15-10(16)19/h1-5H,(H,15,19)(H,17,18)
InChIKeyUKFGOAGBNSGTHH-UHFFFAOYSA-N
MW272.18 g/mol
LogP1.88
Rot. Bonds2

About 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid

2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid (PubChem CID 103124436) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid
PubChem CID103124436
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1-n1cc[nH]c1=O
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-2-8(7(5-6)9(17)18)16-4-3-15-10(16)19/h1-5H,(H,15,19)(H,17,18)
InChIKeyUKFGOAGBNSGTHH-UHFFFAOYSA-N
XLogP1.88
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72699038
2-(2-oxo-1,3-oxazinan-3-yl)-5-(trifluoromethyl)benzoic acid
CID 66269739
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxylic acid
CID 82362513
methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172992933
2-(3-chloro-1,2-dihydroxypropyl)-5-(trifluoromethyl)benzoic acid
CID 171862978
2-(chloromethyl)-5-(trifluoromethyl)benzoic acid
CID 91883386
3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
CID 103125217
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 63514146
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
3-[2-bromo-5-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 114043076
3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 66475849

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid (CID 103124436) is 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1-n1cc[nH]c1=O.
What is the InChIKey of 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid?
The InChIKey is UKFGOAGBNSGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-1-2-8(7(5-6)9(17)18)16-4-3-15-10(16)19/h1-5H,(H,15,19)(H,17,18).
What are the key properties of 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid?
2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid has a molecular weight of 272.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-imidazol-3-yl)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 103124436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).