2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone

C21H16F8N2O — CID 10647811

IUPAC2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone
SMILESCCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H16F8N2O/c1-2-31-17(11-16(32)12-3-7-14(22)8-4-12)19(20(24,25)26,21(27,28)29)30-18(31)13-5-9-15(23)10-6-13/h3-10,17H,2,11H2,1H3
InChIKeyOSAJSRIZBQWMKQ-UHFFFAOYSA-N
MW464.36 g/mol
LogP5.55
Rot. Bonds5

About 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone

2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 10647811) has the molecular formula C21H16F8N2O and a molecular weight of 464.36 g/mol. Its IUPAC name is 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone
PubChem CID10647811
Molecular FormulaC21H16F8N2O
Molecular Weight464.36 g/mol
Exact Mass464.11
IUPAC Name2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone
SMILESCCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C21H16F8N2O/c1-2-31-17(11-16(32)12-3-7-14(22)8-4-12)19(20(24,25)26,21(27,28)29)30-18(31)13-5-9-15(23)10-6-13/h3-10,17H,2,11H2,1H3
InChIKeyOSAJSRIZBQWMKQ-UHFFFAOYSA-N
XLogP5.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone (CID 10647811) is 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone is CCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is OSAJSRIZBQWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F8N2O/c1-2-31-17(11-16(32)12-3-7-14(22)8-4-12)19(20(24,25)26,21(27,28)29)30-18(31)13-5-9-15(23)10-6-13/h3-10,17H,2,11H2,1H3.
What are the key properties of 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone?
2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 464.36 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 10647811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).