1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide

C18H22IN5 — CID 111040143

IUPAC1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/CCc2cn3ccccc3n2)c1.I
InChIInChI=1S/C18H21N5.HI/c1-13-9-14(2)11-16(10-13)22-18(19)20-7-6-15-12-23-8-4-3-5-17(23)21-15;/h3-5,8-12H,6-7H2,1-2H3,(H3,19,20,22);1H
InChIKeyOVCISIJENVUYQI-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.54
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide

1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111040143) has the molecular formula C18H22IN5 and a molecular weight of 435.31 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111040143
Molecular FormulaC18H22IN5
Molecular Weight435.31 g/mol
Exact Mass435.09
IUPAC Name1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/CCc2cn3ccccc3n2)c1.I
InChIInChI=1S/C18H21N5.HI/c1-13-9-14(2)11-16(10-13)22-18(19)20-7-6-15-12-23-8-4-3-5-17(23)21-15;/h3-5,8-12H,6-7H2,1-2H3,(H3,19,20,22);1H
InChIKeyOVCISIJENVUYQI-UHFFFAOYSA-N
XLogP3.54
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.54
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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111040176
2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 111549378
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide
CID 111040147
1-(3,5-dimethylphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809778
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111033680
N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111040187
1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111600465
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110917941
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
1-(3-methylphenyl)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111033847
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111818088
1-(3,5-dimethylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066854

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide (CID 111040143) is 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide is Cc1cc(C)cc(N/C(N)=N/CCc2cn3ccccc3n2)c1.I.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is OVCISIJENVUYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5.HI/c1-13-9-14(2)11-16(10-13)22-18(19)20-7-6-15-12-23-8-4-3-5-17(23)21-15;/h3-5,8-12H,6-7H2,1-2H3,(H3,19,20,22);1H.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 435.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111040143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).