5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione

C24H21N3O2 — CID 155149850

IUPAC5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(/C=N/Nc4c(C)cccc4C)cc3C2=O)cc1
InChIInChI=1S/C24H21N3O2/c1-15-7-10-19(11-8-15)27-23(28)20-12-9-18(13-21(20)24(27)29)14-25-26-22-16(2)5-4-6-17(22)3/h4-14,26H,1-3H3/b25-14+
InChIKeyVDRCUXBQWCZHHB-AFUMVMLFSA-N
MW383.45 g/mol
LogP4.86
Rot. Bonds4

About 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione

5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 155149850) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID155149850
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(/C=N/Nc4c(C)cccc4C)cc3C2=O)cc1
InChIInChI=1S/C24H21N3O2/c1-15-7-10-19(11-8-15)27-23(28)20-12-9-18(13-21(20)24(27)29)14-25-26-22-16(2)5-4-6-17(22)3/h4-14,26H,1-3H3/b25-14+
InChIKeyVDRCUXBQWCZHHB-AFUMVMLFSA-N
XLogP4.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-3-[(E)-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]methylideneamino]thiourea
CID 134163736
1-(2,6-dimethylphenyl)-3-[(E)-[1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]isoindol-5-yl]methylideneamino]thiourea
CID 122424189
4-(5-methyl-1,3-dioxoisoindol-2-yl)benzaldehyde
CID 106913647
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
CID 818224
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
4-[(2E)-2-[[4-(5,7,12,14-tetraoxo-13-phenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)phenyl]methylidene]hydrazinyl]benzenesulfonate
CID 45253905
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
[4-[5-[[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]amino]-1,3-dioxoisoindol-2-yl]phenyl]-triphenylphosphanium
CID 89292657
2-[4-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 64794337
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione (CID 155149850) is 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(/C=N/Nc4c(C)cccc4C)cc3C2=O)cc1.
What is the InChIKey of 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is VDRCUXBQWCZHHB-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-7-10-19(11-8-15)27-23(28)20-12-9-18(13-21(20)24(27)29)14-25-26-22-16(2)5-4-6-17(22)3/h4-14,26H,1-3H3/b25-14+.
What are the key properties of 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione?
5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 383.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[(2,6-dimethylphenyl)hydrazinylidene]methyl]-2-(4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 155149850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).