2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide

C15H15BrIN5 — CID 110917941

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1cn2cc(Br)ccc2n1)Nc1ccccc1
InChIInChI=1S/C15H14BrN5.HI/c16-11-6-7-14-19-13(10-21(14)9-11)8-18-15(17)20-12-4-2-1-3-5-12;/h1-7,9-10H,8H2,(H3,17,18,20);1H
InChIKeyWKXUCSAJYIOLIR-UHFFFAOYSA-N
MW472.13 g/mol
LogP3.64
Rot. Bonds3

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110917941) has the molecular formula C15H15BrIN5 and a molecular weight of 472.13 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID110917941
Molecular FormulaC15H15BrIN5
Molecular Weight472.13 g/mol
Exact Mass470.96
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1cn2cc(Br)ccc2n1)Nc1ccccc1
InChIInChI=1S/C15H14BrN5.HI/c16-11-6-7-14-19-13(10-21(14)9-11)8-18-15(17)20-12-4-2-1-3-5-12;/h1-7,9-10H,8H2,(H3,17,18,20);1H
InChIKeyWKXUCSAJYIOLIR-UHFFFAOYSA-N
XLogP3.64
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111075326
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111809717
1-(3,5-dimethylphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809778
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983079
1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040143
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111849418
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-benzyl-1-phenylguanidine
CID 12910062
2-[(5-bromo-2-fluorophenyl)methyl]-1-phenylguanidine
CID 62370051
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine
CID 111498146
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110927510
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide (CID 110917941) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\Cc1cn2cc(Br)ccc2n1)Nc1ccccc1.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is WKXUCSAJYIOLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5.HI/c16-11-6-7-14-19-13(10-21(14)9-11)8-18-15(17)20-12-4-2-1-3-5-12;/h1-7,9-10H,8H2,(H3,17,18,20);1H.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 472.13 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110917941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).