1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide

C18H30IN5 — CID 111040147

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide
SMILESCCCCCCCC/N=C(\N)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C18H29N5.HI/c1-2-3-4-5-6-8-12-20-18(19)21-13-11-16-15-23-14-9-7-10-17(23)22-16;/h7,9-10,14-15H,2-6,8,11-13H2,1H3,(H3,19,20,21);1H
InChIKeyATOJMEHRHRILNZ-UHFFFAOYSA-N
MW443.38 g/mol
LogP3.76
Rot. Bonds10

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide (PubChem CID 111040147) has the molecular formula C18H30IN5 and a molecular weight of 443.38 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide
PubChem CID111040147
Molecular FormulaC18H30IN5
Molecular Weight443.38 g/mol
Exact Mass443.15
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide
SMILESCCCCCCCC/N=C(\N)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C18H29N5.HI/c1-2-3-4-5-6-8-12-20-18(19)21-13-11-16-15-23-14-9-7-10-17(23)22-16;/h7,9-10,14-15H,2-6,8,11-13H2,1H3,(H3,19,20,21);1H
InChIKeyATOJMEHRHRILNZ-UHFFFAOYSA-N
XLogP3.76
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexyl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111033877
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040143
2-hexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975713
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598038
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111041287

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide (CID 111040147) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide is CCCCCCCC/N=C(\N)NCCc1cn2ccccc2n1.I.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide?
The InChIKey is ATOJMEHRHRILNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5.HI/c1-2-3-4-5-6-8-12-20-18(19)21-13-11-16-15-23-14-9-7-10-17(23)22-16;/h7,9-10,14-15H,2-6,8,11-13H2,1H3,(H3,19,20,21);1H.
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide has a molecular weight of 443.38 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide is sourced from PubChem (CID 111040147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).