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

C5H5F3N2O — CID 596822

IUPAC[2-(trifluoromethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-9-1-3(2-11)10-4/h1,11H,2H2,(H,9,10)
InChIKeySQTNWNVQTBVLLT-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.92
Rot. Bonds1

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

[2-(trifluoromethyl)-1H-imidazol-5-yl]methanol (PubChem CID 596822) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1H-imidazol-5-yl]methanol
PubChem CID596822
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[2-(trifluoromethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-9-1-3(2-11)10-4/h1,11H,2H2,(H,9,10)
InChIKeySQTNWNVQTBVLLT-UHFFFAOYSA-N
XLogP0.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Imidazolemethanol
CID 1745
Imidazol-4-ylmethanol hydrochloride
CID 122926
2-Butyl-5-hydroxymethylimidazole
CID 2735673
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
(4-(trifluoromethyl)-1H-imidazol-5-yl)methanol
CID 597196
(4-Fluoro-1H-imidazol-5-yl)methanol
CID 567446
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
1-(1H-imidazol-4-yl)ethan-1-ol hydrochloride
CID 12344798
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
(2-chloro-1H-imidazol-4-yl)methanol
CID 53839325
1,2-Dimethyl-1H-imidazole-4-methanol
CID 59589401
(1-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 66149354

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol (CID 596822) is [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol is OCc1cnc(C(F)(F)F)[nH]1.
What is the InChIKey of [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is SQTNWNVQTBVLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-9-1-3(2-11)10-4/h1,11H,2H2,(H,9,10).
What are the key properties of [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol?
[2-(trifluoromethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 166.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 596822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).