(2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

C19H17F3N2O — CID 46947975

IUPAC(2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
SMILESCc1cccc(C(O)c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1C
InChIInChI=1S/C19H17F3N2O/c1-11-5-3-8-15(12(11)2)17(25)18-23-10-16(24-18)13-6-4-7-14(9-13)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24)
InChIKeyBJYGRUHZHVINQC-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.79
Rot. Bonds3

About (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol

(2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol (PubChem CID 46947975) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
PubChem CID46947975
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name(2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
SMILESCc1cccc(C(O)c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1C
InChIInChI=1S/C19H17F3N2O/c1-11-5-3-8-15(12(11)2)17(25)18-23-10-16(24-18)13-6-4-7-14(9-13)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24)
InChIKeyBJYGRUHZHVINQC-UHFFFAOYSA-N
XLogP4.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
The IUPAC name of (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol (CID 46947975) is (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
The canonical SMILES for (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol is Cc1cccc(C(O)c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
The InChIKey is BJYGRUHZHVINQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-11-5-3-8-15(12(11)2)17(25)18-23-10-16(24-18)13-6-4-7-14(9-13)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24).
What are the key properties of (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol?
(2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol has a molecular weight of 346.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 46947975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).