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

C11H7F3N2O — CID 110464340

IUPACimidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)n1ccnc1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9-4-2-1-3-8(9)10(17)16-6-5-15-7-16/h1-7H
InChIKeyWJAXYKBGWYPOSP-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.59
Rot. Bonds1

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

imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 110464340) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID110464340
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Nameimidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)n1ccnc1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9-4-2-1-3-8(9)10(17)16-6-5-15-7-16/h1-7H
InChIKeyWJAXYKBGWYPOSP-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
CID 110463462
[2-(hydroxymethyl)-3-pyridinyl]-imidazol-1-ylmethanone
CID 147710275
2-[imidazol-1-yl-[2-(trifluoromethyl)phenyl]methylidene]morpholin-4-amine
CID 67413092
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074
acridin-4-yl(imidazol-1-yl)methanone
CID 10849851
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
(4-bromo-2-fluorophenyl)-imidazol-1-ylmethanone
CID 69457335
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
CID 59566547
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337288
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone (CID 110464340) is imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)n1ccnc1.
What is the InChIKey of imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is WJAXYKBGWYPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)9-4-2-1-3-8(9)10(17)16-6-5-15-7-16/h1-7H.
What are the key properties of imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone?
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 240.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 110464340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).