2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol

C13H19F3N2O — CID 105113600

IUPAC2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1ccnc1CC(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c1-18-7-6-17-12(18)8-11(19)9-2-4-10(5-3-9)13(14,15)16/h6-7,9-11,19H,2-5,8H2,1H3
InChIKeyDAIOVJBGMJKNON-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.69
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol

2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105113600) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105113600
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1ccnc1CC(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c1-18-7-6-17-12(18)8-11(19)9-2-4-10(5-3-9)13(14,15)16/h6-7,9-11,19H,2-5,8H2,1H3
InChIKeyDAIOVJBGMJKNON-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79761950

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol (CID 105113600) is 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol is Cn1ccnc1CC(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is DAIOVJBGMJKNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-18-7-6-17-12(18)8-11(19)9-2-4-10(5-3-9)13(14,15)16/h6-7,9-11,19H,2-5,8H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 276.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105113600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).