2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione

C25H19N3O2 — CID 126004324

IUPAC2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione
SMILESCc1cccc(Cn2cc(/C=N\N3C(=O)c4ccccc4C3=O)c3ccccc32)c1
InChIInChI=1S/C25H19N3O2/c1-17-7-6-8-18(13-17)15-27-16-19(20-9-4-5-12-23(20)27)14-26-28-24(29)21-10-2-3-11-22(21)25(28)30/h2-14,16H,15H2,1H3/b26-14-
InChIKeySLSOYDLMVMAHNO-WGARJPEWSA-N
MW393.45 g/mol
LogP4.63
Rot. Bonds4

About 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione

2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione (PubChem CID 126004324) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione
PubChem CID126004324
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione
SMILESCc1cccc(Cn2cc(/C=N\N3C(=O)c4ccccc4C3=O)c3ccccc32)c1
InChIInChI=1S/C25H19N3O2/c1-17-7-6-8-18(13-17)15-27-16-19(20-9-4-5-12-23(20)27)14-26-28-24(29)21-10-2-3-11-22(21)25(28)30/h2-14,16H,15H2,1H3/b26-14-
InChIKeySLSOYDLMVMAHNO-WGARJPEWSA-N
XLogP4.63
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-methyl-3-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126296546
(5E)-3-methyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126197044
(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126235278
1-benzyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1329245
1-(2-methylphenyl)-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2924855
(5E)-1-(2-methylphenyl)-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1329950
(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44714570
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 126004518
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
(1S,2S,6R,7S,8S,10R)-4-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 126373298
4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3965951
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126008005

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione (CID 126004324) is 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione is Cc1cccc(Cn2cc(/C=N\N3C(=O)c4ccccc4C3=O)c3ccccc32)c1.
What is the InChIKey of 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione?
The InChIKey is SLSOYDLMVMAHNO-WGARJPEWSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-17-7-6-8-18(13-17)15-27-16-19(20-9-4-5-12-23(20)27)14-26-28-24(29)21-10-2-3-11-22(21)25(28)30/h2-14,16H,15H2,1H3/b26-14-.
What are the key properties of 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione?
2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione has a molecular weight of 393.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 126004324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).