1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine

C24H23N3 — CID 135418443

IUPAC1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine
SMILESCc1ccc(C/N=C2\N/C(=N\Cc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H23N3/c1-17-7-11-19(12-8-17)15-25-23-21-5-3-4-6-22(21)24(27-23)26-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,26,27)
InChIKeyIHWLOJZRACXYEA-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.80
Rot. Bonds4

About 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine

1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine (PubChem CID 135418443) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine
PubChem CID135418443
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine
SMILESCc1ccc(C/N=C2\N/C(=N\Cc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H23N3/c1-17-7-11-19(12-8-17)15-25-23-21-5-3-4-6-22(21)24(27-23)26-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,26,27)
InChIKeyIHWLOJZRACXYEA-UHFFFAOYSA-N
XLogP4.80
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine?
The IUPAC name of 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine (CID 135418443) is 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine.
What is the SMILES notation for 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine?
The canonical SMILES for 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine is Cc1ccc(C/N=C2\N/C(=N\Cc3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine?
The InChIKey is IHWLOJZRACXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-17-7-11-19(12-8-17)15-25-23-21-5-3-4-6-22(21)24(27-23)26-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,26,27).
What are the key properties of 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine?
1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine has a molecular weight of 353.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine is sourced from PubChem (CID 135418443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).