2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide

C17H20IN5 — CID 111809717

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCc1cccc(N/C(N)=N/Cc2cn3c(C)cccc3n2)c1.I
InChIInChI=1S/C17H19N5.HI/c1-12-5-3-7-14(9-12)21-17(18)19-10-15-11-22-13(2)6-4-8-16(22)20-15;/h3-9,11H,10H2,1-2H3,(H3,18,19,21);1H
InChIKeyOBDRWNFYOXVMKV-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.50
Rot. Bonds3

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide (PubChem CID 111809717) has the molecular formula C17H20IN5 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
PubChem CID111809717
Molecular FormulaC17H20IN5
Molecular Weight421.29 g/mol
Exact Mass421.08
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCc1cccc(N/C(N)=N/Cc2cn3c(C)cccc3n2)c1.I
InChIInChI=1S/C17H19N5.HI/c1-12-5-3-7-14(9-12)21-17(18)19-10-15-11-22-13(2)6-4-8-16(22)20-15;/h3-9,11H,10H2,1-2H3,(H3,18,19,21);1H
InChIKeyOBDRWNFYOXVMKV-UHFFFAOYSA-N
XLogP3.50
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.50
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

1-(3,5-dimethylphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809778
1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809748
1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111809801
1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809806
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111600820
1-(3-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111081414
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110917941
1-(3-methylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078048
1-(3-methylphenyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045993
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111036067
2-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)guanidine
CID 111024200
1-(3-methylphenyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111052104

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide (CID 111809717) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide is Cc1cccc(N/C(N)=N/Cc2cn3c(C)cccc3n2)c1.I.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The InChIKey is OBDRWNFYOXVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.HI/c1-12-5-3-7-14(9-12)21-17(18)19-10-15-11-22-13(2)6-4-8-16(22)20-15;/h3-9,11H,10H2,1-2H3,(H3,18,19,21);1H.
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide has a molecular weight of 421.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111809717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).