(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C26H25NO2 — CID 51981984

IUPAC(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-18(2)20-13-15-22(16-14-20)24-23(21-11-7-4-8-12-21)25(28)26(29)27(24)17-19-9-5-3-6-10-19/h3-16,18,24,28H,17H2,1-2H3/t24-/m0/s1
InChIKeyAOFISNZOGUVDES-DEOSSOPVSA-N
MW383.49 g/mol
LogP5.86
Rot. Bonds5

About (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 51981984) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
PubChem CID51981984
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-18(2)20-13-15-22(16-14-20)24-23(21-11-7-4-8-12-21)25(28)26(29)27(24)17-19-9-5-3-6-10-19/h3-16,18,24,28H,17H2,1-2H3/t24-/m0/s1
InChIKeyAOFISNZOGUVDES-DEOSSOPVSA-N
XLogP5.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 94073303
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 94073580
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 94072869
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
1-benzyl-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4692036
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072919
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 51981984) is (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is CC(C)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is AOFISNZOGUVDES-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25NO2/c1-18(2)20-13-15-22(16-14-20)24-23(21-11-7-4-8-12-21)25(28)26(29)27(24)17-19-9-5-3-6-10-19/h3-16,18,24,28H,17H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?
(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 383.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 51981984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).