1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

C19H32IN5O — CID 111783089

IUPAC1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCCCCOCCCN/C(=N/Cc1cn2c(C)cccc2n1)NCC.I
InChIInChI=1S/C19H31N5O.HI/c1-4-6-12-25-13-8-11-21-19(20-5-2)22-14-17-15-24-16(3)9-7-10-18(24)23-17;/h7,9-10,15H,4-6,8,11-14H2,1-3H3,(H2,20,21,22);1H
InChIKeyUJDUOODXDZWYIK-UHFFFAOYSA-N
MW473.40 g/mol
LogP3.52
Rot. Bonds10

About 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111783089) has the molecular formula C19H32IN5O and a molecular weight of 473.40 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111783089
Molecular FormulaC19H32IN5O
Molecular Weight473.40 g/mol
Exact Mass473.17
IUPAC Name1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCCCCOCCCN/C(=N/Cc1cn2c(C)cccc2n1)NCC.I
InChIInChI=1S/C19H31N5O.HI/c1-4-6-12-25-13-8-11-21-19(20-5-2)22-14-17-15-24-16(3)9-7-10-18(24)23-17;/h7,9-10,15H,4-6,8,11-14H2,1-3H3,(H2,20,21,22);1H
InChIKeyUJDUOODXDZWYIK-UHFFFAOYSA-N
XLogP3.52
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111781287
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779408
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111781720
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-butoxypropyl)-3-ethylguanidine
CID 111239913
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111781990
1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809806
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109417127
1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779026
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111782408
1-(3-butoxypropyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552941
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 109492782
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111223669

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111783089) is 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is CCCCOCCCN/C(=N/Cc1cn2c(C)cccc2n1)NCC.I.
What is the InChIKey of 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is UJDUOODXDZWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O.HI/c1-4-6-12-25-13-8-11-21-19(20-5-2)22-14-17-15-24-16(3)9-7-10-18(24)23-17;/h7,9-10,15H,4-6,8,11-14H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 473.40 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111783089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).