3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one

C19H15F3N2O — CID 177392842

IUPAC3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one
SMILESCc1ccccc1-n1ccnc1C(=O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H15F3N2O/c1-13-7-5-6-10-15(13)24-12-11-23-18(24)17(25)16(19(20,21)22)14-8-3-2-4-9-14/h2-12,16H,1H3
InChIKeyLMHQEUZYYRFBLJ-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.71
Rot. Bonds4

About 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one

3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one (PubChem CID 177392842) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one
PubChem CID177392842
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one
SMILESCc1ccccc1-n1ccnc1C(=O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H15F3N2O/c1-13-7-5-6-10-15(13)24-12-11-23-18(24)17(25)16(19(20,21)22)14-8-3-2-4-9-14/h2-12,16H,1H3
InChIKeyLMHQEUZYYRFBLJ-UHFFFAOYSA-N
XLogP4.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one (CID 177392842) is 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one is Cc1ccccc1-n1ccnc1C(=O)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one?
The InChIKey is LMHQEUZYYRFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-13-7-5-6-10-15(13)24-12-11-23-18(24)17(25)16(19(20,21)22)14-8-3-2-4-9-14/h2-12,16H,1H3.
What are the key properties of 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one?
3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one has a molecular weight of 344.34 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 177392842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).