2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone

C11H7F3N2O — CID 55160397

IUPAC2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H7F3N2O/c12-7-3-6(4-8(13)11(7)14)9(17)5-10-15-1-2-16-10/h1-4H,5H2,(H,15,16)
InChIKeyOCGOHHUYQVGIOC-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.25
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone

2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone (PubChem CID 55160397) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
PubChem CID55160397
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H7F3N2O/c12-7-3-6(4-8(13)11(7)14)9(17)5-10-15-1-2-16-10/h1-4H,5H2,(H,15,16)
InChIKeyOCGOHHUYQVGIOC-UHFFFAOYSA-N
XLogP2.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1H-imidazol-4-yl)(phenyl)methanone
CID 556113
2-benzoyl-1H-imidazole
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CID 3661024
(E)-3-(1H-imidazol-2-yl)-1-(4-iodophenyl)prop-2-en-1-one
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(2-chlorophenyl)(1H-imidazol-2-yl)methanone
CID 16412863
1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one
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[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl][3-(trifluoromethyl)phenyl]methanone
CID 16192408
(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 18782929
2-(1H-imidazol-2-yl)benzamide
CID 49830339
3-(1H-imidazol-1-yl)-1-phenylpropan-1-one
CID 13457361
2-(2-methyl-1H-imidazol-1-yl)-1-phenylethanone
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2-(1H-imidazol-2-yl)-1-phenyl-ethanone
CID 2443031

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone (CID 55160397) is 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone is O=C(Cc1ncc[nH]1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone?
The InChIKey is OCGOHHUYQVGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-7-3-6(4-8(13)11(7)14)9(17)5-10-15-1-2-16-10/h1-4H,5H2,(H,15,16).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone?
2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 240.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 55160397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).