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

C12H13F3N2O — CID 10682613

IUPAC3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCC1=NC(O)(C(F)(F)F)CN1Cc1ccccc1
InChIInChI=1S/C12H13F3N2O/c1-9-16-11(18,12(13,14)15)8-17(9)7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3
InChIKeyFYKNOBUOPINYKT-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.17
Rot. Bonds2

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

3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 10682613) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID10682613
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCC1=NC(O)(C(F)(F)F)CN1Cc1ccccc1
InChIInChI=1S/C12H13F3N2O/c1-9-16-11(18,12(13,14)15)8-17(9)7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3
InChIKeyFYKNOBUOPINYKT-UHFFFAOYSA-N
XLogP2.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.17
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-Benzyl-1-(2-hydroxyethyl)-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 24183968
Trifluoromethyl-2-phenyl-4,5-dihydro-1h-imidazole
CID 129769264
5-Phenyl-7-trifluoromethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 129869969
1-Benzyl-2-methyl-4,5-dihydro-1H-imidazole
CID 10910074
5-Hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
CID 2996846
3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10615638
(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 10728850
2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10890566
3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4H-imidazol-5-ol
CID 10968384
3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 11021114
3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
CID 84386

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 10682613) is 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol is CC1=NC(O)(C(F)(F)F)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is FYKNOBUOPINYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-9-16-11(18,12(13,14)15)8-17(9)7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3.
What are the key properties of 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 258.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 10682613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).