1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine

C25H29N3 — CID 18718632

About 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine

1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 18718632) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

• Compound Name: 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
• PubChem CID: 18718632
• Molecular Formula: C25H29N3
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.24
• IUPAC Name: 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
• SMILES: Cc1cc(C)c(/N=C/c2ccc(/C=N/c3c(C)cc(C)cc3C)n2C)c(C)c1
• InChI: InChI=1S/C25H29N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-9-23(28(22)7)15-27-25-20(5)12-17(2)13-21(25)6/h8-15H,1-7H3/b26-14+,27-15+
• InChIKey: KWKIYLGFNSMZAG-CIOBDNPFSA-N
• XLogP: 6.38
• TPSA: 29.65 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?

The IUPAC name of 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine (CID 18718632) is 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine.

What is the SMILES notation for 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?

The canonical SMILES for 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2ccc(/C=N/c3c(C)cc(C)cc3C)n2C)c(C)c1.

What is the InChIKey of 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?

The InChIKey is KWKIYLGFNSMZAG-CIOBDNPFSA-N. The full InChI is InChI=1S/C25H29N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-9-23(28(22)7)15-27-25-20(5)12-17(2)13-21(25)6/h8-15H,1-7H3/b26-14+,27-15+.

What are the key properties of 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine?

1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 371.53 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 18718632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).