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

C12H11F3N2O — CID 149043281

IUPAC[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
SMILESCn1cc(-c2ccc(CO)cc2)nc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-17-6-10(16-11(17)12(13,14)15)9-4-2-8(7-18)3-5-9/h2-6,18H,7H2,1H3
InChIKeyQIAAXJWOOGSBNM-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.60
Rot. Bonds2

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

[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol (PubChem CID 149043281) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
PubChem CID149043281
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
SMILESCn1cc(-c2ccc(CO)cc2)nc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-17-6-10(16-11(17)12(13,14)15)9-4-2-8(7-18)3-5-9/h2-6,18H,7H2,1H3
InChIKeyQIAAXJWOOGSBNM-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
The IUPAC name of [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol (CID 149043281) is [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
The canonical SMILES for [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol is Cn1cc(-c2ccc(CO)cc2)nc1C(F)(F)F.
What is the InChIKey of [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
The InChIKey is QIAAXJWOOGSBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17-6-10(16-11(17)12(13,14)15)9-4-2-8(7-18)3-5-9/h2-6,18H,7H2,1H3.
What are the key properties of [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol?
[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol is sourced from PubChem (CID 149043281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).