2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C18H14F3N3O2 — CID 86269291

IUPAC2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-4-2-1-3-12(14)6-8-24-10-16(23-11-24)15-9-13(17(25)26)5-7-22-15/h1-5,7,9-11H,6,8H2,(H,25,26)
InChIKeyMZMHTIGRGQLMHC-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.90
Rot. Bonds5

About 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269291) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269291
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-4-2-1-3-12(14)6-8-24-10-16(23-11-24)15-9-13(17(25)26)5-7-22-15/h1-5,7,9-11H,6,8H2,(H,25,26)
InChIKeyMZMHTIGRGQLMHC-UHFFFAOYSA-N
XLogP3.90
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
2-[5-(4-Methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407809
2-[[[1-[(E)-3-phenylprop-2-enyl]imidazol-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118421047
2-[(2-Methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl)methyl]pyridine-4-carboxylic acid
CID 118421371
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640
4-(5-Imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978744
4-(5-Imidazol-1-yl-2-pyridinyl)benzoic acid
CID 118978824
2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721
1-(4-Carboxy-2-methylphenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1H-pyrrole-2-propanoic acid
CID 70691617
4-[4-[4-(4-Fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]benzoic acid
CID 76310788
4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887719

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 86269291) is 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is MZMHTIGRGQLMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)14-4-2-1-3-12(14)6-8-24-10-16(23-11-24)15-9-13(17(25)26)5-7-22-15/h1-5,7,9-11H,6,8H2,(H,25,26).
What are the key properties of 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).