1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine

C18H26BrN5O2 — CID 111409649

About 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine (PubChem CID 111409649) has the molecular formula C18H26BrN5O2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

• Compound Name: 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
• PubChem CID: 111409649
• Molecular Formula: C18H26BrN5O2
• Molecular Weight: 424.34 g/mol
• Exact Mass: 423.13
• IUPAC Name: 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
• SMILES: C/N=C(\NCCCOCC1CCCO1)NCc1cn2cc(Br)ccc2n1
• InChI: InChI=1S/C18H26BrN5O2/c1-20-18(21-7-3-8-25-13-16-4-2-9-26-16)22-10-15-12-24-11-14(19)5-6-17(24)23-15/h5-6,11-12,16H,2-4,7-10,13H2,1H3,(H2,20,21,22)
• InChIKey: ILKKDUJVTONQHH-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 72.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.34
LogP ≤ 5	2.35
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-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?

The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine (CID 111409649) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine.

What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?

The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine is C/N=C(\NCCCOCC1CCCO1)NCc1cn2cc(Br)ccc2n1.

What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?

The InChIKey is ILKKDUJVTONQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN5O2/c1-20-18(21-7-3-8-25-13-16-4-2-9-26-16)22-10-15-12-24-11-14(19)5-6-17(24)23-15/h5-6,11-12,16H,2-4,7-10,13H2,1H3,(H2,20,21,22).

What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine has a molecular weight of 424.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111409649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).