N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide

C22H28N6 — CID 110961655

IUPACN-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N6/c1-2-23-22(24-12-11-19-18-28-13-7-6-10-21(28)25-19)27-16-14-26(15-17-27)20-8-4-3-5-9-20/h3-10,13,18H,2,11-12,14-17H2,1H3,(H,23,24)
InChIKeyUIAJMQYMJQCFQO-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.66
Rot. Bonds5

About N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide (PubChem CID 110961655) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
PubChem CID110961655
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N6/c1-2-23-22(24-12-11-19-18-28-13-7-6-10-21(28)25-19)27-16-14-26(15-17-27)20-8-4-3-5-9-20/h3-10,13,18H,2,11-12,14-17H2,1H3,(H,23,24)
InChIKeyUIAJMQYMJQCFQO-UHFFFAOYSA-N
XLogP2.66
TPSA48.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
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
N,2-diethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiomorpholine-4-carboximidamide
CID 109485966
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748726
N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111040187
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448558
N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 111546853
N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962086
N-ethyl-4-(4-methoxyphenyl)-N'-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111242080
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide (CID 110961655) is N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide is CCN/C(=N\CCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide?
The InChIKey is UIAJMQYMJQCFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-2-23-22(24-12-11-19-18-28-13-7-6-10-21(28)25-19)27-16-14-26(15-17-27)20-8-4-3-5-9-20/h3-10,13,18H,2,11-12,14-17H2,1H3,(H,23,24).
What are the key properties of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide?
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide has a molecular weight of 376.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 110961655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).