2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

C24H34N6 — CID 111719144

About 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (PubChem CID 111719144) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.

Molecular Properties

• Compound Name: 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
• PubChem CID: 111719144
• Molecular Formula: C24H34N6
• Molecular Weight: 406.58 g/mol
• Exact Mass: 406.28
• IUPAC Name: 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
• SMILES: CCN/C(=N\CCC(C)N(C)Cc1ccccc1)NCCc1cn2ccccc2n1
• InChI: InChI=1S/C24H34N6/c1-4-25-24(27-16-14-22-19-30-17-9-8-12-23(30)28-22)26-15-13-20(2)29(3)18-21-10-6-5-7-11-21/h5-12,17,19-20H,4,13-16,18H2,1-3H3,(H2,25,26,27)
• InChIKey: PKSPTRPMCNKSCK-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 56.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.58
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?

The IUPAC name of 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (CID 111719144) is 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.

What is the SMILES notation for 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?

The canonical SMILES for 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is CCN/C(=N\CCC(C)N(C)Cc1ccccc1)NCCc1cn2ccccc2n1.

What is the InChIKey of 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?

The InChIKey is PKSPTRPMCNKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c1-4-25-24(27-16-14-22-19-30-17-9-8-12-23(30)28-22)26-15-13-20(2)29(3)18-21-10-6-5-7-11-21/h5-12,17,19-20H,4,13-16,18H2,1-3H3,(H2,25,26,27).

What are the key properties of 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?

2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine has a molecular weight of 406.58 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111719144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).