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

C13H13F3N2O — CID 164881354

IUPAC[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CO
InChIInChI=1S/C13H13F3N2O/c1-8-5-9(3-4-10(8)7-19)12-17-11(6-18(12)2)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyLJSCTZUKTKXKNP-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.91
Rot. Bonds2

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

[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 164881354) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
PubChem CID164881354
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CO
InChIInChI=1S/C13H13F3N2O/c1-8-5-9(3-4-10(8)7-19)12-17-11(6-18(12)2)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyLJSCTZUKTKXKNP-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 164881354) is [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is Cc1cc(-c2nc(C(F)(F)F)cn2C)ccc1CO.
What is the InChIKey of [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is LJSCTZUKTKXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-5-9(3-4-10(8)7-19)12-17-11(6-18(12)2)13(14,15)16/h3-6,19H,7H2,1-2H3.
What are the key properties of [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 270.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 164881354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).