phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

C17H13F3N2O — CID 46942875

IUPACphenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
SMILESOC(c1ccccc1)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)13-8-4-7-12(9-13)14-10-21-16(22-14)15(23)11-5-2-1-3-6-11/h1-10,15,23H,(H,21,22)
InChIKeyXQYOVPLMCCMPLA-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.18
Rot. Bonds3

About phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol (PubChem CID 46942875) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
PubChem CID46942875
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Namephenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
SMILESOC(c1ccccc1)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)13-8-4-7-12(9-13)14-10-21-16(22-14)15(23)11-5-2-1-3-6-11/h1-10,15,23H,(H,21,22)
InChIKeyXQYOVPLMCCMPLA-UHFFFAOYSA-N
XLogP4.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500
(2,5-dimethoxyphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942878
2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
CID 65230757
(4-ethylphenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942827
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
CID 22969457
(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
CID 67214897
2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 166815793
(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 46943479
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10194221
1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
CID 21027535

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
The IUPAC name of phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol (CID 46942875) is phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol.
What is the SMILES notation for phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
The canonical SMILES for phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol is OC(c1ccccc1)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
The InChIKey is XQYOVPLMCCMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)13-8-4-7-12(9-13)14-10-21-16(22-14)15(23)11-5-2-1-3-6-11/h1-10,15,23H,(H,21,22).
What are the key properties of phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol has a molecular weight of 318.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 46942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).