(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C12H12F3N3O — CID 118022816

IUPAC(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCc1ncc(C(O)c2ccnc(C(F)(F)F)c2)n1C
InChIInChI=1S/C12H12F3N3O/c1-7-17-6-9(18(7)2)11(19)8-3-4-16-10(5-8)12(13,14)15/h3-6,11,19H,1-2H3
InChIKeyNORMVIBEWGOIFZ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.22
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 118022816) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID118022816
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCc1ncc(C(O)c2ccnc(C(F)(F)F)c2)n1C
InChIInChI=1S/C12H12F3N3O/c1-7-17-6-9(18(7)2)11(19)8-3-4-16-10(5-8)12(13,14)15/h3-6,11,19H,1-2H3
InChIKeyNORMVIBEWGOIFZ-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 118022816) is (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is Cc1ncc(C(O)c2ccnc(C(F)(F)F)c2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is NORMVIBEWGOIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-17-6-9(18(7)2)11(19)8-3-4-16-10(5-8)12(13,14)15/h3-6,11,19H,1-2H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 118022816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).