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

C12H17F3N2O — CID 170316900

IUPAC[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
SMILESCn1cc(C(F)(F)F)nc1C1CCC(CO)CC1
InChIInChI=1S/C12H17F3N2O/c1-17-6-10(12(13,14)15)16-11(17)9-4-2-8(7-18)3-5-9/h6,8-9,18H,2-5,7H2,1H3
InChIKeyNIKDXWXYRZJBBV-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.70
Rot. Bonds2

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

[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol (PubChem CID 170316900) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
PubChem CID170316900
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
SMILESCn1cc(C(F)(F)F)nc1C1CCC(CO)CC1
InChIInChI=1S/C12H17F3N2O/c1-17-6-10(12(13,14)15)16-11(17)9-4-2-8(7-18)3-5-9/h6,8-9,18H,2-5,7H2,1H3
InChIKeyNIKDXWXYRZJBBV-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956042
[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
CID 141394692
1-[(4,4-Difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
CID 141394709
2-[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]propan-2-ol
CID 149918403
1-[(4,4-Difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole
CID 151280967
2-(4-Fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole
CID 155396010
[2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanol
CID 163390492
[1-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol
CID 165400995
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 169086353
[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
Ethyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexane-1-carboxylate
CID 170316912

Frequently Asked Questions

What is the IUPAC name of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol?
The IUPAC name of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol (CID 170316900) is [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol is Cn1cc(C(F)(F)F)nc1C1CCC(CO)CC1.
What is the InChIKey of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol?
The InChIKey is NIKDXWXYRZJBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-17-6-10(12(13,14)15)16-11(17)9-4-2-8(7-18)3-5-9/h6,8-9,18H,2-5,7H2,1H3.
What are the key properties of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol?
[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol has a molecular weight of 262.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol is sourced from PubChem (CID 170316900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).