3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol

C11H11F3N2O — CID 11021114

IUPAC3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCN1CC(O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C11H11F3N2O/c1-16-7-10(17,11(12,13)14)15-9(16)8-5-3-2-4-6-8/h2-6,17H,7H2,1H3
InChIKeyUKVBWISBRSKKTJ-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.63
Rot. Bonds1

About 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol

3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 11021114) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID11021114
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCN1CC(O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C11H11F3N2O/c1-16-7-10(17,11(12,13)14)15-9(16)8-5-3-2-4-6-8/h2-6,17H,7H2,1H3
InChIKeyUKVBWISBRSKKTJ-UHFFFAOYSA-N
XLogP1.63
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1H-imidazole
CID 72942199
1-Methyl-2-phenyl-4,5-dihydro-1H-imidazole
CID 15357564
1,3-Dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium tetrafluoroborate
CID 499191
tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
CID 53328284
Trifluoromethyl-2-phenyl-4,5-dihydro-1h-imidazole
CID 129769264
N,N-diethyl-N'-trifluoromethylbenzamidine
CID 129810631
N,N-diethyl-N'-(trifluoromethyl)benzenecarboximidamide
CID 176438510
1-Pentyl-2-phenyl-4,5-dihydro-1h-imidazole
CID 70129684
3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
CID 2962176
5-Hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
CID 2996846
(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 10728850
2,3-diphenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10859735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 11021114) is 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol is CN1CC(O)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is UKVBWISBRSKKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16-7-10(17,11(12,13)14)15-9(16)8-5-3-2-4-6-8/h2-6,17H,7H2,1H3.
What are the key properties of 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 244.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 11021114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).