3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol

C17H13F3N2O — CID 82560734

IUPAC3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-6-4-13(5-7-14)16-21-8-9-22(16)11-12-2-1-3-15(23)10-12/h1-10,23H,11H2
InChIKeyVWCQCQYHUOTXCC-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.32
Rot. Bonds3

About 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol

3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol (PubChem CID 82560734) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
PubChem CID82560734
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-6-4-13(5-7-14)16-21-8-9-22(16)11-12-2-1-3-15(23)10-12/h1-10,23H,11H2
InChIKeyVWCQCQYHUOTXCC-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
CID 82560859
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
CID 82561680
[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421079
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137
3-[[2-(4-nitrophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560637
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol (CID 82560734) is 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol is Oc1cccc(Cn2ccnc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
The InChIKey is VWCQCQYHUOTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)14-6-4-13(5-7-14)16-21-8-9-22(16)11-12-2-1-3-15(23)10-12/h1-10,23H,11H2.
What are the key properties of 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol?
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol has a molecular weight of 318.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).