1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine

C23H23Cl3N6 — CID 170181196

About 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine

1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine (PubChem CID 170181196) has the molecular formula C23H23Cl3N6 and a molecular weight of 489.84 g/mol. Its IUPAC name is 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine.

Molecular Properties

• Compound Name: 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine
• PubChem CID: 170181196
• Molecular Formula: C23H23Cl3N6
• Molecular Weight: 489.84 g/mol
• Exact Mass: 488.10
• IUPAC Name: 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine
• SMILES: C=Nc1c(/C(=N/C)N2CCCC(N)C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
• InChI: InChI=1S/C23H23Cl3N6/c1-28-22(31-11-3-4-16(27)13-31)20-23(29-2)32(17-8-5-14(24)6-9-17)21(30-20)18-10-7-15(25)12-19(18)26/h5-10,12,16H,2-4,11,13,27H2,1H3/b28-22-
• InChIKey: CQJCRXQUZLEYEU-SLMZUGIISA-N
• XLogP: 5.63
• TPSA: 71.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.84
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine?

The IUPAC name of 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine (CID 170181196) is 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine.

What is the SMILES notation for 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine?

The canonical SMILES for 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine is C=Nc1c(/C(=N/C)N2CCCC(N)C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.

What is the InChIKey of 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine?

The InChIKey is CQJCRXQUZLEYEU-SLMZUGIISA-N. The full InChI is InChI=1S/C23H23Cl3N6/c1-28-22(31-11-3-4-16(27)13-31)20-23(29-2)32(17-8-5-14(24)6-9-17)21(30-20)18-10-7-15(25)12-19(18)26/h5-10,12,16H,2-4,11,13,27H2,1H3/b28-22-.

What are the key properties of 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine?

1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine has a molecular weight of 489.84 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[C-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylideneamino)imidazol-4-yl]-N-methylcarbonimidoyl]piperidin-3-amine is sourced from PubChem (CID 170181196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).