1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine

C17H23N5O2 — CID 119121281

IUPAC1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2cn3c(n2)CCCC3)c1
InChIInChI=1S/C17H23N5O2/c1-23-13-6-7-15(24-2)14(9-13)21-17(18)19-10-12-11-22-8-4-3-5-16(22)20-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H3,18,19,21)
InChIKeyVPXPXQRFTTZVDE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.16
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine

1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine (PubChem CID 119121281) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
PubChem CID119121281
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2cn3c(n2)CCCC3)c1
InChIInChI=1S/C17H23N5O2/c1-23-13-6-7-15(24-2)14(9-13)21-17(18)19-10-12-11-22-8-4-3-5-16(22)20-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H3,18,19,21)
InChIKeyVPXPXQRFTTZVDE-UHFFFAOYSA-N
XLogP2.16
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 119117954
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955498
1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121272
1-(2,5-dimethoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119120385
1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111087818
2-(cyclohexen-1-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine
CID 122096895
1-(2,5-dimethoxyphenyl)-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111036766
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119949
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
1-(2,5-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058327
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
2-[2-(azepan-1-yl)-3-methylbutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111042316

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine (CID 119121281) is 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine is COc1ccc(OC)c(N/C(N)=N/Cc2cn3c(n2)CCCC3)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The InChIKey is VPXPXQRFTTZVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-23-13-6-7-15(24-2)14(9-13)21-17(18)19-10-12-11-22-8-4-3-5-16(22)20-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H3,18,19,21).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine has a molecular weight of 329.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 119121281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).