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

C24H19FN2O3 — CID 68569692

IUPAC(4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(CC1=N[C@@H](c2ccccc2)[C@@H](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)/t22-,23+/m0/s1
InChIKeyFFAKMMUALOXEHH-XZOQPEGZSA-N
MW402.43 g/mol
LogP5.27
Rot. Bonds5

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

(4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 68569692) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
PubChem CID68569692
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name(4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid
SMILESO=C(CC1=N[C@@H](c2ccccc2)[C@@H](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)/t22-,23+/m0/s1
InChIKeyFFAKMMUALOXEHH-XZOQPEGZSA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid (CID 68569692) is (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid is O=C(CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is FFAKMMUALOXEHH-XZOQPEGZSA-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)/t22-,23+/m0/s1.
What are the key properties of (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid?
(4S,5R)-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 (4S,5R)-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 68569692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).