1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one

C24H22N2O — CID 102374492

IUPAC1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one
SMILESO=C1C(c2ccccc2)C/C(=N\Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H22N2O/c27-24-22(21-14-8-3-9-15-21)16-23(25-17-19-10-4-1-5-11-19)26(24)18-20-12-6-2-7-13-20/h1-15,22H,16-18H2/b25-23+
InChIKeyKMYWRFJIBBPWBB-WJTDDFOZSA-N
MW354.45 g/mol
LogP4.80
Rot. Bonds5

About 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one

1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one (PubChem CID 102374492) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one
PubChem CID102374492
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one
SMILESO=C1C(c2ccccc2)C/C(=N\Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C24H22N2O/c27-24-22(21-14-8-3-9-15-21)16-23(25-17-19-10-4-1-5-11-19)26(24)18-20-12-6-2-7-13-20/h1-15,22H,16-18H2/b25-23+
InChIKeyKMYWRFJIBBPWBB-WJTDDFOZSA-N
XLogP4.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one (CID 102374492) is 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one is O=C1C(c2ccccc2)C/C(=N\Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one?
The InChIKey is KMYWRFJIBBPWBB-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H22N2O/c27-24-22(21-14-8-3-9-15-21)16-23(25-17-19-10-4-1-5-11-19)26(24)18-20-12-6-2-7-13-20/h1-15,22H,16-18H2/b25-23+.
What are the key properties of 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one?
1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-benzylimino-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 102374492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).