1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone

C13H11F3N2O — CID 14935739

IUPAC1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone
SMILESCc1nc(-c2ccccc2)n(C)c1C(=O)C(F)(F)F
InChIInChI=1S/C13H11F3N2O/c1-8-10(11(19)13(14,15)16)18(2)12(17-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyQSDPJAHCCZSWED-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.14
Rot. Bonds2

About 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone

1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone (PubChem CID 14935739) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone
PubChem CID14935739
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone
SMILESCc1nc(-c2ccccc2)n(C)c1C(=O)C(F)(F)F
InChIInChI=1S/C13H11F3N2O/c1-8-10(11(19)13(14,15)16)18(2)12(17-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyQSDPJAHCCZSWED-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone (CID 14935739) is 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone is Cc1nc(-c2ccccc2)n(C)c1C(=O)C(F)(F)F.
What is the InChIKey of 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is QSDPJAHCCZSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-10(11(19)13(14,15)16)18(2)12(17-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone?
1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 268.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-phenylimidazol-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 14935739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).