1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide

C17H24IN5 — CID 119121272

IUPAC1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/Cc2cn3c(n2)CCCC3)cc1.I
InChIInChI=1S/C17H23N5.HI/c1-2-13-6-8-14(9-7-13)21-17(18)19-11-15-12-22-10-4-3-5-16(22)20-15;/h6-9,12H,2-5,10-11H2,1H3,(H3,18,19,21);1H
InChIKeyNOXZLOHTLALXPH-UHFFFAOYSA-N
MW425.32 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide

1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119121272) has the molecular formula C17H24IN5 and a molecular weight of 425.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID119121272
Molecular FormulaC17H24IN5
Molecular Weight425.32 g/mol
Exact Mass425.11
IUPAC Name1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/Cc2cn3c(n2)CCCC3)cc1.I
InChIInChI=1S/C17H23N5.HI/c1-2-13-6-8-14(9-7-13)21-17(18)19-11-15-12-22-10-4-3-5-16(22)20-15;/h6-9,12H,2-5,10-11H2,1H3,(H3,18,19,21);1H
InChIKeyNOXZLOHTLALXPH-UHFFFAOYSA-N
XLogP3.33
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 53.33
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-(4-butan-2-ylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121251
1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121242
1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121281
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(4-ethylphenyl)guanidine
CID 119117949
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955498
1-(4-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035326
1-(oxolan-2-ylmethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121240
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119121254
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 119121295
1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580654
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-(4-ethylphenyl)guanidine
CID 111805488

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide (CID 119121272) is 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/Cc2cn3c(n2)CCCC3)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is NOXZLOHTLALXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.HI/c1-2-13-6-8-14(9-7-13)21-17(18)19-11-15-12-22-10-4-3-5-16(22)20-15;/h6-9,12H,2-5,10-11H2,1H3,(H3,18,19,21);1H.
What are the key properties of 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119121272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).