2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid

C13H11F3N2O2 — CID 18469019

IUPAC2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-7-10(18-11)12(19)20/h1-2,4-5,7H,3,6H2,(H,17,18)(H,19,20)
InChIKeyLKRPALYSBTXFIS-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.91
Rot. Bonds4

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

2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid (PubChem CID 18469019) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid
PubChem CID18469019
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCc2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-7-10(18-11)12(19)20/h1-2,4-5,7H,3,6H2,(H,17,18)(H,19,20)
InChIKeyLKRPALYSBTXFIS-UHFFFAOYSA-N
XLogP2.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 82300474
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
CID 62251177
2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid
CID 117189542
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
CID 23025563
5-[1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]butyl]pyrazine-2-carboxylic acid
CID 146386020
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 67540894
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
2-(methylideneamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 163536086
4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylic acid
CID 62116453

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid (CID 18469019) is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(CCc2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is LKRPALYSBTXFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-7-10(18-11)12(19)20/h1-2,4-5,7H,3,6H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid?
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 284.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 18469019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).