2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone

C12H9F3N2O — CID 10944963

IUPAC2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone
SMILESCn1c(C(=O)C(F)(F)F)cnc1-c1ccccc1
InChIInChI=1S/C12H9F3N2O/c1-17-9(10(18)12(13,14)15)7-16-11(17)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyMGJKHBFTLXMESQ-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.83
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone

2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone (PubChem CID 10944963) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone
PubChem CID10944963
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone
SMILESCn1c(C(=O)C(F)(F)F)cnc1-c1ccccc1
InChIInChI=1S/C12H9F3N2O/c1-17-9(10(18)12(13,14)15)7-16-11(17)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyMGJKHBFTLXMESQ-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone (CID 10944963) is 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone is Cn1c(C(=O)C(F)(F)F)cnc1-c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone?
The InChIKey is MGJKHBFTLXMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-17-9(10(18)12(13,14)15)7-16-11(17)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone?
2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone has a molecular weight of 254.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone is sourced from PubChem (CID 10944963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).