N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide

C25H33IN6 — CID 110962086

IUPACN'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nccn1Cc1ccccc1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C25H32N6.HI/c1-2-26-25(30-19-17-29(18-20-30)23-11-7-4-8-12-23)28-14-13-24-27-15-16-31(24)21-22-9-5-3-6-10-22;/h3-12,15-16H,2,13-14,17-21H2,1H3,(H,26,28);1H
InChIKeyYWMLCNLTGMFSAY-UHFFFAOYSA-N
MW544.49 g/mol
LogP3.88
Rot. Bonds7

About N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide

N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110962086) has the molecular formula C25H33IN6 and a molecular weight of 544.49 g/mol. Its IUPAC name is N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110962086
Molecular FormulaC25H33IN6
Molecular Weight544.49 g/mol
Exact Mass544.18
IUPAC NameN'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nccn1Cc1ccccc1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C25H32N6.HI/c1-2-26-25(30-19-17-29(18-20-30)23-11-7-4-8-12-23)28-14-13-24-27-15-16-31(24)21-22-9-5-3-6-10-22;/h3-12,15-16H,2,13-14,17-21H2,1H3,(H,26,28);1H
InChIKeyYWMLCNLTGMFSAY-UHFFFAOYSA-N
XLogP3.88
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.49
LogP ≤ 53.88
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide 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

N'-[2-(1-benzylimidazol-2-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487237
2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914921
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134056
N-ethyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 111546853
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184809
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205333
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(4-chlorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111196825
N'-[(1-benzylimidazol-2-yl)methyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443010
N-[2-[[N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111926929
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenylpiperazine-1-carboximidamide
CID 110961655
N-ethyl-4-phenyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962078
N-ethyl-4-phenyl-N'-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960658

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110962086) is N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1nccn1Cc1ccccc1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is YWMLCNLTGMFSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6.HI/c1-2-26-25(30-19-17-29(18-20-30)23-11-7-4-8-12-23)28-14-13-24-27-15-16-31(24)21-22-9-5-3-6-10-22;/h3-12,15-16H,2,13-14,17-21H2,1H3,(H,26,28);1H.
What are the key properties of N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 544.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110962086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).