1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

C27H24N2O2 — CID 110578391

IUPAC1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(Cc3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C27H24N2O2/c1-18-12-13-22(19(2)16-18)24-25(28-15-14-21-10-6-7-11-23(21)28)27(31)29(26(24)30)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3
InChIKeyJZXOSPBAQIALPP-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.65
Rot. Bonds4

About 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110578391) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110578391
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(Cc3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C27H24N2O2/c1-18-12-13-22(19(2)16-18)24-25(28-15-14-21-10-6-7-11-23(21)28)27(31)29(26(24)30)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3
InChIKeyJZXOSPBAQIALPP-UHFFFAOYSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione 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

1-[(2-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578146
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578197
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110578060
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-phenylpyrrole-2,5-dione
CID 110579822
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569294
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110579500
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579587
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-hexylpyrrole-2,5-dione
CID 110578990
3-(2,3-dihydroindol-1-yl)-1-(3,5-dimethoxyphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110577847
1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853
1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110578224
3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580068

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 110578391) is 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCc4ccccc43)C(=O)N(Cc3ccccc3)C2=O)c(C)c1.
What is the InChIKey of 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is JZXOSPBAQIALPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-18-12-13-22(19(2)16-18)24-25(28-15-14-21-10-6-7-11-23(21)28)27(31)29(26(24)30)17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 408.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-dihydroindol-1-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110578391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).