4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline

C32H30N4O — CID 20640956

About 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline

4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline (PubChem CID 20640956) has the molecular formula C32H30N4O and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline
• PubChem CID: 20640956
• Molecular Formula: C32H30N4O
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.24
• IUPAC Name: 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline
• SMILES: C/C(=N\N(C)c1ccccc1)c1cc2cc(/C=N/N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2o1
• InChI: InChI=1S/C32H30N4O/c1-23-10-15-29(16-11-23)36(30-17-12-24(2)13-18-30)33-22-26-14-19-31-27(20-26)21-32(37-31)25(3)34-35(4)28-8-6-5-7-9-28/h5-22H,1-4H3/b33-22+,34-25+
• InChIKey: YDXRBALRXPZJPY-ICXYAEKKSA-N
• XLogP: 8.08
• TPSA: 44.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline?

The IUPAC name of 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline (CID 20640956) is 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline?

The canonical SMILES for 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline is C/C(=N\N(C)c1ccccc1)c1cc2cc(/C=N/N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2o1.

What is the InChIKey of 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline?

The InChIKey is YDXRBALRXPZJPY-ICXYAEKKSA-N. The full InChI is InChI=1S/C32H30N4O/c1-23-10-15-29(16-11-23)36(30-17-12-24(2)13-18-30)33-22-26-14-19-31-27(20-26)21-32(37-31)25(3)34-35(4)28-8-6-5-7-9-28/h5-22H,1-4H3/b33-22+,34-25+.

What are the key properties of 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline?

4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline has a molecular weight of 486.62 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(E)-[2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 20640956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).