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

C12H13F3N2O — CID 10890566

IUPAC2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCN1CC(O)(C(F)(F)F)N=C1Cc1ccccc1
InChIInChI=1S/C12H13F3N2O/c1-17-8-11(18,12(13,14)15)16-10(17)7-9-5-3-2-4-6-9/h2-6,18H,7-8H2,1H3
InChIKeyLZWJHCNSWNINPP-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.82
Rot. Bonds2

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

2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 10890566) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID10890566
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCN1CC(O)(C(F)(F)F)N=C1Cc1ccccc1
InChIInChI=1S/C12H13F3N2O/c1-17-8-11(18,12(13,14)15)16-10(17)7-9-5-3-2-4-6-9/h2-6,18H,7-8H2,1H3
InChIKeyLZWJHCNSWNINPP-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 10890566) is 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol is CN1CC(O)(C(F)(F)F)N=C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is LZWJHCNSWNINPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-17-8-11(18,12(13,14)15)16-10(17)7-9-5-3-2-4-6-9/h2-6,18H,7-8H2,1H3.
What are the key properties of 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 258.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 10890566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).