2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid

C18H14F3N3O2 — CID 90462362

IUPAC2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cnc(CCc3ccccc3C(F)(F)F)[nH]2)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)13-4-2-1-3-11(13)5-6-16-23-10-15(24-16)14-9-12(17(25)26)7-8-22-14/h1-4,7-10H,5-6H2,(H,23,24)(H,25,26)
InChIKeySLFKJVUOGRVWKY-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.97
Rot. Bonds5

About 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid

2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid (PubChem CID 90462362) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
PubChem CID90462362
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cnc(CCc3ccccc3C(F)(F)F)[nH]2)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)13-4-2-1-3-11(13)5-6-16-23-10-15(24-16)14-9-12(17(25)26)7-8-22-14/h1-4,7-10H,5-6H2,(H,23,24)(H,25,26)
InChIKeySLFKJVUOGRVWKY-UHFFFAOYSA-N
XLogP3.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457135
2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457020
2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carbonitrile
CID 90457056
2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457147
2-[2-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62315096
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
CID 115113980
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid (CID 90462362) is 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cnc(CCc3ccccc3C(F)(F)F)[nH]2)c1.
What is the InChIKey of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is SLFKJVUOGRVWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)13-4-2-1-3-11(13)5-6-16-23-10-15(24-16)14-9-12(17(25)26)7-8-22-14/h1-4,7-10H,5-6H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90462362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).