[3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol

C13H17F3N2O — CID 169086360

IUPAC[3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1C12CC(CO)(C1)C2
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-3-9(13(14,15)16)17-10(18)12-4-11(5-12,6-12)7-19/h3,8,19H,4-7H2,1-2H3
InChIKeyXFRNKWACVCIHHU-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.90
Rot. Bonds3

About [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol

[3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol (PubChem CID 169086360) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol.

Molecular Properties

Compound Name[3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol
PubChem CID169086360
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1C12CC(CO)(C1)C2
InChIInChI=1S/C13H17F3N2O/c1-8(2)18-3-9(13(14,15)16)17-10(18)12-4-11(5-12,6-12)7-19/h3,8,19H,4-7H2,1-2H3
InChIKeyXFRNKWACVCIHHU-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol with MolForge

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Related Compounds

Methyl 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 169086413
[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]cuban-1-yl]methanol
CID 169710163
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cuban-1-yl]methanol
CID 169710510
Ethane;1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 170707642
(4,4-Difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
CID 174754336
(2-Tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol
CID 174754339
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
CID 176105328
[1-[(1-Methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol
CID 138050378
1-(2-Oxaspiro[3.3]heptan-6-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 170707643
[1-[[Methyl-[(3-methylimidazol-4-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 131896424

Frequently Asked Questions

What is the IUPAC name of [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol?
The IUPAC name of [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol (CID 169086360) is [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol.
What is the SMILES notation for [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol?
The canonical SMILES for [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol is CC(C)n1cc(C(F)(F)F)nc1C12CC(CO)(C1)C2.
What is the InChIKey of [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol?
The InChIKey is XFRNKWACVCIHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8(2)18-3-9(13(14,15)16)17-10(18)12-4-11(5-12,6-12)7-19/h3,8,19H,4-7H2,1-2H3.
What are the key properties of [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol?
[3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol has a molecular weight of 274.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol is sourced from PubChem (CID 169086360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).