1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine

C22H27N7 — CID 111352118

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine (PubChem CID 111352118) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine.

Molecular Properties

• Compound Name: 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
• PubChem CID: 111352118
• Molecular Formula: C22H27N7
• Molecular Weight: 389.51 g/mol
• Exact Mass: 389.23
• IUPAC Name: 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
• SMILES: C/N=C(/NCCCn1c(C)nc2ccccc21)NCCc1cn2ccccc2n1
• InChI: InChI=1S/C22H27N7/c1-17-26-19-8-3-4-9-20(19)29(17)15-7-12-24-22(23-2)25-13-11-18-16-28-14-6-5-10-21(28)27-18/h3-6,8-10,14,16H,7,11-13,15H2,1-2H3,(H2,23,24,25)
• InChIKey: QZXRMMOWIPBFLM-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 71.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.51
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?

The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine (CID 111352118) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine.

What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?

The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine is C/N=C(/NCCCn1c(C)nc2ccccc21)NCCc1cn2ccccc2n1.

What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?

The InChIKey is QZXRMMOWIPBFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-17-26-19-8-3-4-9-20(19)29(17)15-7-12-24-22(23-2)25-13-11-18-16-28-14-6-5-10-21(28)27-18/h3-6,8-10,14,16H,7,11-13,15H2,1-2H3,(H2,23,24,25).

What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine?

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine has a molecular weight of 389.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine is sourced from PubChem (CID 111352118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).