3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol

C17H15F3N2O — CID 10615638

IUPAC3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESOC1(C(F)(F)F)CN(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)16(23)12-22(11-13-7-3-1-4-8-13)15(21-16)14-9-5-2-6-10-14/h1-10,23H,11-12H2
InChIKeyUIBWQDNAYHXWCB-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.20
Rot. Bonds3

About 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol

3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 10615638) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID10615638
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESOC1(C(F)(F)F)CN(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)16(23)12-22(11-13-7-3-1-4-8-13)15(21-16)14-9-5-2-6-10-14/h1-10,23H,11-12H2
InChIKeyUIBWQDNAYHXWCB-UHFFFAOYSA-N
XLogP3.20
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 10615638) is 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol is OC1(C(F)(F)F)CN(Cc2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is UIBWQDNAYHXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)16(23)12-22(11-13-7-3-1-4-8-13)15(21-16)14-9-5-2-6-10-14/h1-10,23H,11-12H2.
What are the key properties of 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol?
3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 320.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 10615638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).