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

C16H26IN5 — CID 111781287

IUPAC1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCCCCN/C(=N/Cc1cn2c(C)cccc2n1)NCC.I
InChIInChI=1S/C16H25N5.HI/c1-4-6-10-18-16(17-5-2)19-11-14-12-21-13(3)8-7-9-15(21)20-14;/h7-9,12H,4-6,10-11H2,1-3H3,(H2,17,18,19);1H
InChIKeyFDUZIMNBYNQLNW-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.12
Rot. Bonds6

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

1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111781287) has the molecular formula C16H26IN5 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111781287
Molecular FormulaC16H26IN5
Molecular Weight415.32 g/mol
Exact Mass415.12
IUPAC Name1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCCCCN/C(=N/Cc1cn2c(C)cccc2n1)NCC.I
InChIInChI=1S/C16H25N5.HI/c1-4-6-10-18-16(17-5-2)19-11-14-12-21-13(3)8-7-9-15(21)20-14;/h7-9,12H,4-6,10-11H2,1-3H3,(H2,17,18,19);1H
InChIKeyFDUZIMNBYNQLNW-UHFFFAOYSA-N
XLogP3.12
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783089
1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809806
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
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111781990
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-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 109492782
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111781629
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779982
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111779856

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111781287) is 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is CCCCN/C(=N/Cc1cn2c(C)cccc2n1)NCC.I.
What is the InChIKey of 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is FDUZIMNBYNQLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.HI/c1-4-6-10-18-16(17-5-2)19-11-14-12-21-13(3)8-7-9-15(21)20-14;/h7-9,12H,4-6,10-11H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111781287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).