4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid

C18H13F3N2O2 — CID 141377215

IUPAC4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)14-3-1-2-13(9-14)15-10-22-16(23-15)8-11-4-6-12(7-5-11)17(24)25/h1-7,9-10H,8H2,(H,22,23)(H,24,25)
InChIKeyFLMFORUUULWMKW-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.38
Rot. Bonds4

About 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid

4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid (PubChem CID 141377215) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
PubChem CID141377215
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)14-3-1-2-13(9-14)15-10-22-16(23-15)8-11-4-6-12(7-5-11)17(24)25/h1-7,9-10H,8H2,(H,22,23)(H,24,25)
InChIKeyFLMFORUUULWMKW-UHFFFAOYSA-N
XLogP4.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzoic acid
CID 66939291
4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzoic acid
CID 53353917
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942875
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140347
1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
CID 158159036
(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500
2-benzyl-5-(3-butylphenyl)-1H-imidazole
CID 91210581
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid
CID 69353333
1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
CID 21027535
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
CID 139606187

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid?
The IUPAC name of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid (CID 141377215) is 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid is O=C(O)c1ccc(Cc2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)cc1.
What is the InChIKey of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid?
The InChIKey is FLMFORUUULWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)14-3-1-2-13(9-14)15-10-22-16(23-15)8-11-4-6-12(7-5-11)17(24)25/h1-7,9-10H,8H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid?
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid has a molecular weight of 346.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 141377215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).