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

C12H9F3N2O2 — CID 171574008

IUPAC1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C12H9F3N2O2/c1-19-9-6-7(12(13,14)15)2-3-8(9)10(18)11-16-4-5-17-11/h2-6H,1H3,(H,16,17)
InChIKeyWSLLBYGZNKLIFX-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.67
Rot. Bonds3

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

1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone (PubChem CID 171574008) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone
PubChem CID171574008
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C12H9F3N2O2/c1-19-9-6-7(12(13,14)15)2-3-8(9)10(18)11-16-4-5-17-11/h2-6H,1H3,(H,16,17)
InChIKeyWSLLBYGZNKLIFX-UHFFFAOYSA-N
XLogP2.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone (CID 171574008) is 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone is COc1cc(C(F)(F)F)ccc1C(=O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is WSLLBYGZNKLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-19-9-6-7(12(13,14)15)2-3-8(9)10(18)11-16-4-5-17-11/h2-6H,1H3,(H,16,17).
What are the key properties of 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone?
1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 270.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[2-methoxy-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171574008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).