1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C24H23NO — CID 59318444

IUPAC1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cc2ccc(-c3ccccc3)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H23NO/c26-24-16-15-23(25(24)18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23H,15-18H2
InChIKeyQXALKMJNMFBGND-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.09
Rot. Bonds5

About 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 59318444) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID59318444
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cc2ccc(-c3ccccc3)cc2)N1Cc1ccccc1
InChIInChI=1S/C24H23NO/c26-24-16-15-23(25(24)18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23H,15-18H2
InChIKeyQXALKMJNMFBGND-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-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

(5S)-1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 157283864
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318478
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 66739288
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
(6R)-1,6-dibenzylpiperidine-2,4-dione
CID 54253000
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
CID 102262811

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 59318444) is 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is O=C1CCC(Cc2ccc(-c3ccccc3)cc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is QXALKMJNMFBGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c26-24-16-15-23(25(24)18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23H,15-18H2.
What are the key properties of 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 341.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).