1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone

C22H15F3N2O — CID 11428935

IUPAC1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C22H15F3N2O/c1-14(28)15-6-5-7-16(10-15)19-11-17(22(23,24)25)12-20-21(19)27(13-26-20)18-8-3-2-4-9-18/h2-13H,1H3
InChIKeyFCYPSJRRQVLLHQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.91
Rot. Bonds3

About 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone

1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone (PubChem CID 11428935) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone
PubChem CID11428935
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C22H15F3N2O/c1-14(28)15-6-5-7-16(10-15)19-11-17(22(23,24)25)12-20-21(19)27(13-26-20)18-8-3-2-4-9-18/h2-13H,1H3
InChIKeyFCYPSJRRQVLLHQ-UHFFFAOYSA-N
XLogP5.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone (CID 11428935) is 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1.
What is the InChIKey of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone?
The InChIKey is FCYPSJRRQVLLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c1-14(28)15-6-5-7-16(10-15)19-11-17(22(23,24)25)12-20-21(19)27(13-26-20)18-8-3-2-4-9-18/h2-13H,1H3.
What are the key properties of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone?
1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone has a molecular weight of 380.37 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 11428935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).