(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol

C12H11F3N2O2 — CID 66118408

IUPAC(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCn1cncc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O2/c1-17-7-16-6-10(17)11(18)8-3-2-4-9(5-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyIKHHPAXQXKCWDL-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.40
Rot. Bonds3

About (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol

(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 66118408) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID66118408
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCn1cncc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O2/c1-17-7-16-6-10(17)11(18)8-3-2-4-9(5-8)19-12(13,14)15/h2-7,11,18H,1H3
InChIKeyIKHHPAXQXKCWDL-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
(3-methylimidazol-4-yl)-naphthalen-2-ylmethanol
CID 66116281
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 105096572
(3-ethylimidazol-4-yl)-(3-methoxyphenyl)methanol
CID 66135157
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol (CID 66118408) is (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol is Cn1cncc1C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is IKHHPAXQXKCWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-17-7-16-6-10(17)11(18)8-3-2-4-9(5-8)19-12(13,14)15/h2-7,11,18H,1H3.
What are the key properties of (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 272.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 66118408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).