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

C14H21N5 — CID 111809806

IUPAC1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1cn2c(C)cccc2n1
InChIInChI=1S/C14H21N5/c1-3-4-8-16-14(15)17-9-12-10-19-11(2)6-5-7-13(19)18-12/h5-7,10H,3-4,8-9H2,1-2H3,(H3,15,16,17)
InChIKeySSFJNCVIAODIHI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.85
Rot. Bonds5

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

1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (PubChem CID 111809806) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
PubChem CID111809806
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1cn2c(C)cccc2n1
InChIInChI=1S/C14H21N5/c1-3-4-8-16-14(15)17-9-12-10-19-11(2)6-5-7-13(19)18-12/h5-7,10H,3-4,8-9H2,1-2H3,(H3,15,16,17)
InChIKeySSFJNCVIAODIHI-UHFFFAOYSA-N
XLogP1.85
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.85
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'}

Analyze 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111781287
1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111809801
1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783089
1-(3,5-dimethylphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809778
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111809717
1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809748
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111781720
2-[(6-methyl-2-pyridinyl)methyl]-1-octylguanidine;hydroiodide
CID 111062653
2-hexyl-5-methylimidazo[1,2-a]pyridine
CID 102626126
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779408
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111781990

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The IUPAC name of 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (CID 111809806) is 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The canonical SMILES for 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is CCCCN/C(N)=N/Cc1cn2c(C)cccc2n1.
What is the InChIKey of 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The InChIKey is SSFJNCVIAODIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-4-8-16-14(15)17-9-12-10-19-11(2)6-5-7-13(19)18-12/h5-7,10H,3-4,8-9H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine has a molecular weight of 259.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 111809806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).