2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid

C24H19FN2O3 — CID 68569687

IUPAC2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(CC1=NC(c2ccccc2)C(c2ccccc2)N1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3/c25-19-13-11-16(12-14-19)20(28)15-21-26-22(17-7-3-1-4-8-17)23(27(21)24(29)30)18-9-5-2-6-10-18/h1-14,22-23H,15H2,(H,29,30)
InChIKeyFFAKMMUALOXEHH-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.27
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid

2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 68569687) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
PubChem CID68569687
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(CC1=NC(c2ccccc2)C(c2ccccc2)N1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O3/c25-19-13-11-16(12-14-19)20(28)15-21-26-22(17-7-3-1-4-8-17)23(27(21)24(29)30)18-9-5-2-6-10-18/h1-14,22-23H,15H2,(H,29,30)
InChIKeyFFAKMMUALOXEHH-UHFFFAOYSA-N
XLogP5.27
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-2-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-(4-fluorophenyl)ethanone
CID 10647811
2-[(2S,4R)-1-benzoyl-4-methylpyrrolidin-2-yl]-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one
CID 58136261
2-(cis-4,5-Diphenyl-4,5-dihydro-1H-imidazol-2-yl)-1-(4-fluorophenyl)ethan-1-one
CID 59655349
2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-(4-fluorophenyl)ethanone
CID 68568625
2-(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)-1-(4-fluorophenyl)ethanone
CID 68568628
(4R,5S)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68569683
(4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68569692
1-(4-fluorophenyl)-2-[(4S,5R)-1-methyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]ethanone
CID 70887676
2-[2-(4-Fluorophenyl)-2-oxoethyl]-cis-4,5-diphenyl-4,5-dihydro-imidazole-1-carboxylic Acid, Tert-Butyl Ester
CID 86596337
3-[3-[4-(4-Fluorobenzoyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917293
N-[1-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]ethylidene]-N'-methyl-2-(4-methylphenyl)ethanimidamide
CID 143676247
N-[5-benzyl-4-(4-methylphenyl)-3H-pyrrol-2-yl]-2-fluoro-N-methylbenzamide
CID 157459461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid (CID 68569687) is 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid is O=C(CC1=NC(c2ccccc2)C(c2ccccc2)N1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is FFAKMMUALOXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-19-13-11-16(12-14-19)20(28)15-21-26-22(17-7-3-1-4-8-17)23(27(21)24(29)30)18-9-5-2-6-10-18/h1-14,22-23H,15H2,(H,29,30).
What are the key properties of 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 402.43 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 68569687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).