1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

C18H21N5O2 — CID 111809748

IUPAC1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cn3c(C)cccc3n2)cc1OC
InChIInChI=1S/C18H21N5O2/c1-12-5-4-6-17-21-14(11-23(12)17)10-20-18(19)22-13-7-8-15(24-2)16(9-13)25-3/h4-9,11H,10H2,1-3H3,(H3,19,20,22)
InChIKeyHAVKPBPCAYEKQR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.59
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (PubChem CID 111809748) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
PubChem CID111809748
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cn3c(C)cccc3n2)cc1OC
InChIInChI=1S/C18H21N5O2/c1-12-5-4-6-17-21-14(11-23(12)17)10-20-18(19)22-13-7-8-15(24-2)16(9-13)25-3/h4-9,11H,10H2,1-3H3,(H3,19,20,22)
InChIKeyHAVKPBPCAYEKQR-UHFFFAOYSA-N
XLogP2.59
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.59
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-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111809717
1-(3,5-dimethylphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809778
1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809806
1-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111031665
1-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111062712
1-(3,4-dimethoxyphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038290
1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580617
1-(3,4-dimethoxyphenyl)-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine
CID 111096255
1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023354
1-(3,4-dimethoxyphenyl)-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 111096254
1-(3,4-dimethoxyphenyl)-2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine
CID 110028964
2-[(2-bromophenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111045422

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (CID 111809748) is 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2cn3c(C)cccc3n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The InChIKey is HAVKPBPCAYEKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-5-4-6-17-21-14(11-23(12)17)10-20-18(19)22-13-7-8-15(24-2)16(9-13)25-3/h4-9,11H,10H2,1-3H3,(H3,19,20,22).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine has a molecular weight of 339.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 111809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).