[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate

C23H16F3N3O5 — CID 91393119

IUPAC[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
SMILESO=C(Oc1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1)c1ccccc1
InChIInChI=1S/C23H16F3N3O5/c24-23(25,26)34-18-8-6-17(7-9-18)29-20(30)14-28(22(29)32)13-15-10-11-27-19(12-15)33-21(31)16-4-2-1-3-5-16/h1-12,14,30H,13H2
InChIKeyIGPYBFBXUIBODS-UHFFFAOYSA-N
MW471.39 g/mol
LogP3.91
Rot. Bonds6

About [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate

[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate (PubChem CID 91393119) has the molecular formula C23H16F3N3O5 and a molecular weight of 471.39 g/mol. Its IUPAC name is [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate.

Molecular Properties

Compound Name[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
PubChem CID91393119
Molecular FormulaC23H16F3N3O5
Molecular Weight471.39 g/mol
Exact Mass471.10
IUPAC Name[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
SMILESO=C(Oc1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1)c1ccccc1
InChIInChI=1S/C23H16F3N3O5/c24-23(25,26)34-18-8-6-17(7-9-18)29-20(30)14-28(22(29)32)13-15-10-11-27-19(12-15)33-21(31)16-4-2-1-3-5-16/h1-12,14,30H,13H2
InChIKeyIGPYBFBXUIBODS-UHFFFAOYSA-N
XLogP3.91
TPSA95.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
CID 91041066
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069
4-hydroxy-1-[(2-pyridin-2-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91079111
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]benzohydrazide
CID 90809807
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
N'-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzohydrazide
CID 91282632
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 90958761
1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90922879
4-hydroxy-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90878282
[4-[[5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl] benzoate
CID 141097439
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91385526

Frequently Asked Questions

What is the IUPAC name of [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate?
The IUPAC name of [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate (CID 91393119) is [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate.
What is the SMILES notation for [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate?
The canonical SMILES for [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate is O=C(Oc1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1)c1ccccc1.
What is the InChIKey of [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate?
The InChIKey is IGPYBFBXUIBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O5/c24-23(25,26)34-18-8-6-17(7-9-18)29-20(30)14-28(22(29)32)13-15-10-11-27-19(12-15)33-21(31)16-4-2-1-3-5-16/h1-12,14,30H,13H2.
What are the key properties of [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate?
[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate has a molecular weight of 471.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate is sourced from PubChem (CID 91393119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).