1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

C19H22BrFIN5O — CID 111678521

About 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide (PubChem CID 111678521) has the molecular formula C19H22BrFIN5O and a molecular weight of 562.23 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
• PubChem CID: 111678521
• Molecular Formula: C19H22BrFIN5O
• Molecular Weight: 562.23 g/mol
• Exact Mass: 561.00
• IUPAC Name: 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
• SMILES: C/N=C(/NCc1cn2cc(Br)ccc2n1)NCC(C)Oc1ccc(F)cc1.I
• InChI: InChI=1S/C19H21BrFN5O.HI/c1-13(27-17-6-4-15(21)5-7-17)9-23-19(22-2)24-10-16-12-26-11-14(20)3-8-18(26)25-16;/h3-8,11-13H,9-10H2,1-2H3,(H2,22,23,24);1H
• InChIKey: HPXBDTCMKZIODO-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 62.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.23
LogP ≤ 5	3.99
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide?

The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide (CID 111678521) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide.

What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide?

The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide is C/N=C(/NCc1cn2cc(Br)ccc2n1)NCC(C)Oc1ccc(F)cc1.I.

What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide?

The InChIKey is HPXBDTCMKZIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN5O.HI/c1-13(27-17-6-4-15(21)5-7-17)9-23-19(22-2)24-10-16-12-26-11-14(20)3-8-18(26)25-16;/h3-8,11-13H,9-10H2,1-2H3,(H2,22,23,24);1H.

What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide?

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 562.23 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111678521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).