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

C11H15F3N2O — CID 138050378

IUPAC[1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol
SMILESCC1(Cn2c(C(F)(F)F)cnc2CO)CCC1
InChIInChI=1S/C11H15F3N2O/c1-10(3-2-4-10)7-16-8(11(12,13)14)5-15-9(16)6-17/h5,17H,2-4,6-7H2,1H3
InChIKeyDTEWAKHUWVAAOG-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.58
Rot. Bonds3

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

[1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol (PubChem CID 138050378) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol
PubChem CID138050378
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol
SMILESCC1(Cn2c(C(F)(F)F)cnc2CO)CCC1
InChIInChI=1S/C11H15F3N2O/c1-10(3-2-4-10)7-16-8(11(12,13)14)5-15-9(16)6-17/h5,17H,2-4,6-7H2,1H3
InChIKeyDTEWAKHUWVAAOG-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethyl-1H-imidazol-2-yl)methanol
CID 12923402
2-[5-(Trifluoromethyl)imidazol-1-yl]ethanol
CID 22759816
[1,4-Bis(trifluoromethyl)imidazol-2-yl]methanol
CID 88411419
[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
CID 90162200
[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]methanol
CID 90167677
2-[2-Piperidin-4-yl-4-(trifluoromethyl)imidazol-1-yl]ethanol
CID 117867395
[1-Ethyl-4-(trifluoromethyl)imidazol-2-yl]methanol
CID 118357718
[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
CID 141394692
2-[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]propan-2-ol
CID 149918403
2-[4-(Trifluoromethyl)imidazol-1-yl]ethanol
CID 150764124
1-(1,4-Dimethylimidazol-2-yl)-2,2,2-trifluoroethanol
CID 156271485
1-[1-[3-(4,4-Difluoropiperidin-1-yl)-1-bicyclo[1.1.1]pentanyl]-4-methylimidazol-2-yl]-2,2,2-trifluoroethanol
CID 156287732

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol?
The IUPAC name of [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol (CID 138050378) is [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol?
The canonical SMILES for [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol is CC1(Cn2c(C(F)(F)F)cnc2CO)CCC1.
What is the InChIKey of [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol?
The InChIKey is DTEWAKHUWVAAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-10(3-2-4-10)7-16-8(11(12,13)14)5-15-9(16)6-17/h5,17H,2-4,6-7H2,1H3.
What are the key properties of [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol?
[1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol has a molecular weight of 248.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 138050378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).