[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol

C16H23F3N2O — CID 169086353

IUPAC[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C16H23F3N2O/c1-11(2)21-9-12(16(17,18)19)20-13(21)15-6-3-14(10-22,4-7-15)5-8-15/h9,11,22H,3-8,10H2,1-2H3
InChIKeyATXZSMAZYATBBM-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.07
Rot. Bonds3

About [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol

[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 169086353) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID169086353
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1C12CCC(CO)(CC1)CC2
InChIInChI=1S/C16H23F3N2O/c1-11(2)21-9-12(16(17,18)19)20-13(21)15-6-3-14(10-22,4-7-15)5-8-15/h9,11,22H,3-8,10H2,1-2H3
InChIKeyATXZSMAZYATBBM-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylate
CID 169086339
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methyl methanesulfonate
CID 169086357
[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
methyl 4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)bicyclo[2.2.2]octane-1-carboxylate
CID 169811227
[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
CID 170316900
[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 170316945
(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
2-(1-Bicyclo[2.2.2]octanyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 175946935
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
CID 176105328
[4-[1-Cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 176105346

Frequently Asked Questions

What is the IUPAC name of [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol (CID 169086353) is [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol is CC(C)n1cc(C(F)(F)F)nc1C12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is ATXZSMAZYATBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-11(2)21-9-12(16(17,18)19)20-13(21)15-6-3-14(10-22,4-7-15)5-8-15/h9,11,22H,3-8,10H2,1-2H3.
What are the key properties of [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol?
[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 316.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 169086353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).