1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide

C19H24IN5 — CID 111900088

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCc1cccc(C)c1.I
InChIInChI=1S/C19H23N5.HI/c1-15-6-5-7-16(12-15)13-22-19(20-2)21-10-9-17-14-24-11-4-3-8-18(24)23-17;/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,20,21,22);1H
InChIKeyADZQNCINURTZNI-UHFFFAOYSA-N
MW449.34 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide (PubChem CID 111900088) has the molecular formula C19H24IN5 and a molecular weight of 449.34 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
PubChem CID111900088
Molecular FormulaC19H24IN5
Molecular Weight449.34 g/mol
Exact Mass449.11
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCc1cccc(C)c1.I
InChIInChI=1S/C19H23N5.HI/c1-15-6-5-7-16(12-15)13-22-19(20-2)21-10-9-17-14-24-11-4-3-8-18(24)23-17;/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,20,21,22);1H
InChIKeyADZQNCINURTZNI-UHFFFAOYSA-N
XLogP3.17
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 53.17
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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111844940
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
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-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111246170
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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996738

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide (CID 111900088) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide is C/N=C(/NCCc1cn2ccccc2n1)NCc1cccc(C)c1.I.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is ADZQNCINURTZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.HI/c1-15-6-5-7-16(12-15)13-22-19(20-2)21-10-9-17-14-24-11-4-3-8-18(24)23-17;/h3-8,11-12,14H,9-10,13H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 449.34 g/mol, XLogP of 3.17, 5 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-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111900088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).