2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

C25H20N6 — CID 6220193

About 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 6220193) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
• PubChem CID: 6220193
• Molecular Formula: C25H20N6
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.17
• IUPAC Name: 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
• SMILES: CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C\c1cccc2cccnc12
• InChI: InChI=1S/C25H20N6/c1-3-19-16(2)20(14-26)24-29-21-11-4-5-12-22(21)31(24)25(19)30-28-15-18-9-6-8-17-10-7-13-27-23(17)18/h4-13,15,30H,3H2,1-2H3/b28-15-
• InChIKey: CZCHNYRIWCYETD-MBTHVWNTSA-N
• XLogP: 5.22
• TPSA: 78.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?

The IUPAC name of 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 6220193) is 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.

What is the SMILES notation for 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?

The canonical SMILES for 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C\c1cccc2cccnc12.

What is the InChIKey of 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?

The InChIKey is CZCHNYRIWCYETD-MBTHVWNTSA-N. The full InChI is InChI=1S/C25H20N6/c1-3-19-16(2)20(14-26)24-29-21-11-4-5-12-22(21)31(24)25(19)30-28-15-18-9-6-8-17-10-7-13-27-23(17)18/h4-13,15,30H,3H2,1-2H3/b28-15-.

What are the key properties of 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?

2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 404.48 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 6220193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).