2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C26H23F3N2O2 — CID 59251251

IUPAC2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(CO)cc3)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H23F3N2O2/c1-25(2,33)23-15-31(24(30-23)21-5-3-4-6-22(21)26(27,28)29)20-13-11-19(12-14-20)18-9-7-17(16-32)8-10-18/h3-15,32-33H,16H2,1-2H3
InChIKeyBMDAZLLFTNPYCF-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.94
Rot. Bonds5

About 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251251) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251251
Molecular FormulaC26H23F3N2O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(CO)cc3)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H23F3N2O2/c1-25(2,33)23-15-31(24(30-23)21-5-3-4-6-22(21)26(27,28)29)20-13-11-19(12-14-20)18-9-7-17(16-32)8-10-18/h3-15,32-33H,16H2,1-2H3
InChIKeyBMDAZLLFTNPYCF-UHFFFAOYSA-N
XLogP5.94
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251251) is 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc(CO)cc3)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is BMDAZLLFTNPYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c1-25(2,33)23-15-31(24(30-23)21-5-3-4-6-22(21)26(27,28)29)20-13-11-19(12-14-20)18-9-7-17(16-32)8-10-18/h3-15,32-33H,16H2,1-2H3.
What are the key properties of 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 452.48 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).