2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide

C17H20IN5 — CID 111549378

IUPAC2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide
SMILESCc1cccn2cc(CC/N=C(\N)Nc3ccccc3)nc12.I
InChIInChI=1S/C17H19N5.HI/c1-13-6-5-11-22-12-15(20-16(13)22)9-10-19-17(18)21-14-7-3-2-4-8-14;/h2-8,11-12H,9-10H2,1H3,(H3,18,19,21);1H
InChIKeyCGSWQFHVWIIEKW-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide

2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide (PubChem CID 111549378) has the molecular formula C17H20IN5 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide
PubChem CID111549378
Molecular FormulaC17H20IN5
Molecular Weight421.29 g/mol
Exact Mass421.08
IUPAC Name2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide
SMILESCc1cccn2cc(CC/N=C(\N)Nc3ccccc3)nc12.I
InChIInChI=1S/C17H19N5.HI/c1-13-6-5-11-22-12-15(20-16(13)22)9-10-19-17(18)21-14-7-3-2-4-8-14;/h2-8,11-12H,9-10H2,1H3,(H3,18,19,21);1H
InChIKeyCGSWQFHVWIIEKW-UHFFFAOYSA-N
XLogP3.23
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide (CID 111549378) is 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide is Cc1cccn2cc(CC/N=C(\N)Nc3ccccc3)nc12.I.
What is the InChIKey of 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide?
The InChIKey is CGSWQFHVWIIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.HI/c1-13-6-5-11-22-12-15(20-16(13)22)9-10-19-17(18)21-14-7-3-2-4-8-14;/h2-8,11-12H,9-10H2,1H3,(H3,18,19,21);1H.
What are the key properties of 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide?
2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide has a molecular weight of 421.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111549378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).