[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol

C8H11F3N2O — CID 90162200

IUPAC[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1CO
InChIInChI=1S/C8H11F3N2O/c1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h3,5,14H,4H2,1-2H3
InChIKeyAXFMYMMVQYOYTB-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds2

About [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol

[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol (PubChem CID 90162200) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
PubChem CID90162200
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1CO
InChIInChI=1S/C8H11F3N2O/c1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h3,5,14H,4H2,1-2H3
InChIKeyAXFMYMMVQYOYTB-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-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

(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
(1-Isobutyl-1H-imidazol-5-yl)methanol
CID 11686942
(1,4-dimethyl-1H-imidazol-2-yl)methanol
CID 12923402
(1-ethyl-1H-imidazol-4-yl)methanol
CID 18361866
1,2-Dimethyl-1H-imidazole-4-methanol
CID 59589401
(1-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 66149354
(1-(2,2,2-trifluoroethyl)-1H-imidazol-4-yl)methanol
CID 121602213
(1-cyclopropyl-1H-imidazol-4-yl)methanol
CID 126974076

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
The IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol (CID 90162200) is [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
The canonical SMILES for [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol is CC(C)n1cc(C(F)(F)F)nc1CO.
What is the InChIKey of [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
The InChIKey is AXFMYMMVQYOYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h3,5,14H,4H2,1-2H3.
What are the key properties of [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol has a molecular weight of 208.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 90162200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).