1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione

C25H23N3O2 — CID 177390028

IUPAC1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(/N=N/c2ccc(C)cc2C2CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H23N3O2/c1-17-8-11-20(12-9-17)26-27-23-13-10-18(2)14-21(23)22-15-24(29)28(25(22)30)16-19-6-4-3-5-7-19/h3-14,22H,15-16H2,1-2H3/b27-26+
InChIKeyMDRKTPQNADVASI-CYYJNZCTSA-N
MW397.48 g/mol
LogP5.76
Rot. Bonds5

About 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione

1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 177390028) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione
PubChem CID177390028
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(/N=N/c2ccc(C)cc2C2CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H23N3O2/c1-17-8-11-20(12-9-17)26-27-23-13-10-18(2)14-21(23)22-15-24(29)28(25(22)30)16-19-6-4-3-5-7-19/h3-14,22H,15-16H2,1-2H3/b27-26+
InChIKeyMDRKTPQNADVASI-CYYJNZCTSA-N
XLogP5.76
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[2-(butylideneamino)phenyl]pyrrolidine-2,5-dione
CID 12744673
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione
CID 166916517
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395
1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 6458645
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
1,3-dibenzyl-3-deuterio-5-methylindol-2-one
CID 10980376
(3R)-3-[2-(1,3-benzoxazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-benzylpyrrolidine-2,5-dione
CID 98271416
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione (CID 177390028) is 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione is Cc1ccc(/N=N/c2ccc(C)cc2C2CC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is MDRKTPQNADVASI-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-8-11-20(12-9-17)26-27-23-13-10-18(2)14-21(23)22-15-24(29)28(25(22)30)16-19-6-4-3-5-7-19/h3-14,22H,15-16H2,1-2H3/b27-26+.
What are the key properties of 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione?
1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 397.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 177390028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).