(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid

C25H24N2O2 — CID 101203564

IUPAC(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid
SMILESC[C@H](c1ccccc1)N1C(c2ccccc2)=N[C@](C)(C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18(19-12-6-3-7-13-19)27-22(20-14-8-4-9-15-20)25(2,24(28)29)26-23(27)21-16-10-5-11-17-21/h3-18,22H,1-2H3,(H,28,29)/t18-,22+,25+/m1/s1
InChIKeyFSTAQEVLGMSPLI-MOADCYBESA-N
MW384.48 g/mol
LogP5.09
Rot. Bonds5

About (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid

(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid (PubChem CID 101203564) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid
PubChem CID101203564
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid
SMILESC[C@H](c1ccccc1)N1C(c2ccccc2)=N[C@](C)(C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18(19-12-6-3-7-13-19)27-22(20-14-8-4-9-15-20)25(2,24(28)29)26-23(27)21-16-10-5-11-17-21/h3-18,22H,1-2H3,(H,28,29)/t18-,22+,25+/m1/s1
InChIKeyFSTAQEVLGMSPLI-MOADCYBESA-N
XLogP5.09
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid (CID 101203564) is (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid is C[C@H](c1ccccc1)N1C(c2ccccc2)=N[C@](C)(C(=O)O)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid?
The InChIKey is FSTAQEVLGMSPLI-MOADCYBESA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18(19-12-6-3-7-13-19)27-22(20-14-8-4-9-15-20)25(2,24(28)29)26-23(27)21-16-10-5-11-17-21/h3-18,22H,1-2H3,(H,28,29)/t18-,22+,25+/m1/s1.
What are the key properties of (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid?
(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 101203564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).