imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C17H11F3N2O — CID 59710971

IUPACimidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)13-7-5-12(6-8-13)14-3-1-2-4-15(14)16(23)22-10-9-21-11-22/h1-11H
InChIKeyCHBCWZYBPDFJOC-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.26
Rot. Bonds2

About imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 59710971) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID59710971
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Nameimidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)n1ccnc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)13-7-5-12(6-8-13)14-3-1-2-4-15(14)16(23)22-10-9-21-11-22/h1-11H
InChIKeyCHBCWZYBPDFJOC-UHFFFAOYSA-N
XLogP4.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 59710971) is imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)n1ccnc1.
What is the InChIKey of imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is CHBCWZYBPDFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)13-7-5-12(6-8-13)14-3-1-2-4-15(14)16(23)22-10-9-21-11-22/h1-11H.
What are the key properties of imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 316.28 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 59710971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).