1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide

C18H28IN5 — CID 109496303

IUPAC1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C18H27N5.HI/c1-5-6-7-12-22(4)18(19-3)20-11-10-16-14-23-13-8-9-15(2)17(23)21-16;/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3,(H,19,20);1H
InChIKeyGMUAKYKMWWUVTL-UHFFFAOYSA-N
MW441.36 g/mol
LogP3.28
Rot. Bonds7

About 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide

1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109496303) has the molecular formula C18H28IN5 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide
PubChem CID109496303
Molecular FormulaC18H28IN5
Molecular Weight441.36 g/mol
Exact Mass441.14
IUPAC Name1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C18H27N5.HI/c1-5-6-7-12-22(4)18(19-3)20-11-10-16-14-23-13-8-9-15(2)17(23)21-16;/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3,(H,19,20);1H
InChIKeyGMUAKYKMWWUVTL-UHFFFAOYSA-N
XLogP3.28
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;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-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine
CID 109496304
1,2-dimethyl-1-pent-4-enyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 109497572
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497082
3-[2-[4-(dimethylamino)phenyl]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498453
1,2-dimethyl-1-pent-4-enyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109498464
1,2-dimethyl-1-pent-4-enyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 109497726
3-[2-(5-bromofuran-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496888
3-[2-(1H-indol-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496349
1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111835870
1,2-dimethyl-1-pent-4-enyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109496802
N',3-dimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 102559379

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide (CID 109496303) is 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\C)NCCc1cn2cccc(C)c2n1.I.
What is the InChIKey of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is GMUAKYKMWWUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5.HI/c1-5-6-7-12-22(4)18(19-3)20-11-10-16-14-23-13-8-9-15(2)17(23)21-16;/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3,(H,19,20);1H.
What are the key properties of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide?
1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 441.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109496303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).