1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide

C17H26IN5 — CID 110991788

IUPAC1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)NC1CCCC1.I
InChIInChI=1S/C17H25N5.HI/c1-2-18-17(21-14-7-3-4-8-14)19-11-10-15-13-22-12-6-5-9-16(22)20-15;/h5-6,9,12-14H,2-4,7-8,10-11H2,1H3,(H2,18,19,21);1H
InChIKeyJCPDMBTWZGEZQQ-UHFFFAOYSA-N
MW427.33 g/mol
LogP2.99
Rot. Bonds5

About 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide

1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 110991788) has the molecular formula C17H26IN5 and a molecular weight of 427.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID110991788
Molecular FormulaC17H26IN5
Molecular Weight427.33 g/mol
Exact Mass427.12
IUPAC Name1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)NC1CCCC1.I
InChIInChI=1S/C17H25N5.HI/c1-2-18-17(21-14-7-3-4-8-14)19-11-10-15-13-22-12-6-5-9-16(22)20-15;/h5-6,9,12-14H,2-4,7-8,10-11H2,1H3,(H2,18,19,21);1H
InChIKeyJCPDMBTWZGEZQQ-UHFFFAOYSA-N
XLogP2.99
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 52.99
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-cyclohexyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 110958559
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111575238
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
CID 111006011
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide
CID 111210841
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111410339
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153181
1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111531620
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933602
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide (CID 110991788) is 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCc1cn2ccccc2n1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is JCPDMBTWZGEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5.HI/c1-2-18-17(21-14-7-3-4-8-14)19-11-10-15-13-22-12-6-5-9-16(22)20-15;/h5-6,9,12-14H,2-4,7-8,10-11H2,1H3,(H2,18,19,21);1H.
What are the key properties of 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 427.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110991788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).