N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide

C21H26IN5 — CID 111040187

IUPACN'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESI.c1ccc(N/C(=N\CCc2cn3ccccc3n2)N2CCCCC2)cc1
InChIInChI=1S/C21H25N5.HI/c1-3-9-18(10-4-1)24-21(25-14-6-2-7-15-25)22-13-12-19-17-26-16-8-5-11-20(26)23-19;/h1,3-5,8-11,16-17H,2,6-7,12-15H2,(H,22,24);1H
InChIKeyKGMCMQAQPJOAAO-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.45
Rot. Bonds4

About N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide

N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111040187) has the molecular formula C21H26IN5 and a molecular weight of 475.38 g/mol. Its IUPAC name is N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111040187
Molecular FormulaC21H26IN5
Molecular Weight475.38 g/mol
Exact Mass475.12
IUPAC NameN'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
SMILESI.c1ccc(N/C(=N\CCc2cn3ccccc3n2)N2CCCCC2)cc1
InChIInChI=1S/C21H25N5.HI/c1-3-9-18(10-4-1)24-21(25-14-6-2-7-15-25)22-13-12-19-17-26-16-8-5-11-20(26)23-19;/h1,3-5,8-11,16-17H,2,6-7,12-15H2,(H,22,24);1H
InChIKeyKGMCMQAQPJOAAO-UHFFFAOYSA-N
XLogP4.45
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
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

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N-phenyl-N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide
CID 119119157
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
N-phenyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111812637
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
CID 110961655
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methylpiperidine-1-carboximidamide
CID 111210841
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153181
1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040143
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N-phenyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide
CID 111820886

Frequently Asked Questions

What is the IUPAC name of N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide (CID 111040187) is N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide is I.c1ccc(N/C(=N\CCc2cn3ccccc3n2)N2CCCCC2)cc1.
What is the InChIKey of N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is KGMCMQAQPJOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5.HI/c1-3-9-18(10-4-1)24-21(25-14-6-2-7-15-25)22-13-12-19-17-26-16-8-5-11-20(26)23-19;/h1,3-5,8-11,16-17H,2,6-7,12-15H2,(H,22,24);1H.
What are the key properties of N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide?
N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 475.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111040187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).