1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide

C20H29IN6O — CID 111675171

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
SMILESCCC(CC)c1cc(CN/C(=N\C)NCCc2cn3ccccc3n2)on1.I
InChIInChI=1S/C20H28N6O.HI/c1-4-15(5-2)18-12-17(27-25-18)13-23-20(21-3)22-10-9-16-14-26-11-7-6-8-19(26)24-16;/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3,(H2,21,22,23);1H
InChIKeySXHQLKHEILTSRA-UHFFFAOYSA-N
MW496.40 g/mol
LogP3.75
Rot. Bonds8

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide (PubChem CID 111675171) has the molecular formula C20H29IN6O and a molecular weight of 496.40 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
PubChem CID111675171
Molecular FormulaC20H29IN6O
Molecular Weight496.40 g/mol
Exact Mass496.14
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
SMILESCCC(CC)c1cc(CN/C(=N\C)NCCc2cn3ccccc3n2)on1.I
InChIInChI=1S/C20H28N6O.HI/c1-4-15(5-2)18-12-17(27-25-18)13-23-20(21-3)22-10-9-16-14-26-11-7-6-8-19(26)24-16;/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3,(H2,21,22,23);1H
InChIKeySXHQLKHEILTSRA-UHFFFAOYSA-N
XLogP3.75
TPSA79.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;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

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111585144
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111519024
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900088
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111535580
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119148965
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111844940
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111246170

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide (CID 111675171) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide is CCC(CC)c1cc(CN/C(=N\C)NCCc2cn3ccccc3n2)on1.I.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
The InChIKey is SXHQLKHEILTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.HI/c1-4-15(5-2)18-12-17(27-25-18)13-23-20(21-3)22-10-9-16-14-26-11-7-6-8-19(26)24-16;/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide has a molecular weight of 496.40 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111675171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).