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

C20H14F8N2O — CID 10765954

IUPAC1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone
SMILESCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14F8N2O/c1-30-16(10-15(31)11-2-6-13(21)7-3-11)18(19(23,24)25,20(26,27)28)29-17(30)12-4-8-14(22)9-5-12/h2-9,16H,10H2,1H3
InChIKeyZROIKKBXTBEXLA-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.16
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone (PubChem CID 10765954) has the molecular formula C20H14F8N2O and a molecular weight of 450.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone
PubChem CID10765954
Molecular FormulaC20H14F8N2O
Molecular Weight450.33 g/mol
Exact Mass450.10
IUPAC Name1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone
SMILESCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14F8N2O/c1-30-16(10-15(31)11-2-6-13(21)7-3-11)18(19(23,24)25,20(26,27)28)29-17(30)12-4-8-14(22)9-5-12/h2-9,16H,10H2,1H3
InChIKeyZROIKKBXTBEXLA-UHFFFAOYSA-N
XLogP5.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone (CID 10765954) is 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone is CN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone?
The InChIKey is ZROIKKBXTBEXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F8N2O/c1-30-16(10-15(31)11-2-6-13(21)7-3-11)18(19(23,24)25,20(26,27)28)29-17(30)12-4-8-14(22)9-5-12/h2-9,16H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone?
1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone has a molecular weight of 450.33 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]ethanone is sourced from PubChem (CID 10765954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).