4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

C21H27IN6O — CID 111184637

IUPAC4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C21H26N6O.HI/c1-22-21(23-10-9-17-16-27-11-5-4-8-20(27)24-17)26-14-12-25(13-15-26)18-6-2-3-7-19(18)28;/h2-8,11,16,28H,9-10,12-15H2,1H3,(H,22,23);1H
InChIKeyKGUGDOKHEBLUDC-UHFFFAOYSA-N
MW506.39 g/mol
LogP2.60
Rot. Bonds4

About 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111184637) has the molecular formula C21H27IN6O and a molecular weight of 506.39 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111184637
Molecular FormulaC21H27IN6O
Molecular Weight506.39 g/mol
Exact Mass506.13
IUPAC Name4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cn2ccccc2n1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C21H26N6O.HI/c1-22-21(23-10-9-17-16-27-11-5-4-8-20(27)24-17)26-14-12-25(13-15-26)18-6-2-3-7-19(18)28;/h2-8,11,16,28H,9-10,12-15H2,1H3,(H,22,23);1H
InChIKeyKGUGDOKHEBLUDC-UHFFFAOYSA-N
XLogP2.60
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-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

4-(2-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide
CID 111148387
4-(furan-2-carbonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166652
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745047
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185647
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130663
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
4-(2-hydroxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185443
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184191
4-(2-hydroxyphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111185396
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184853
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184772

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 111184637) is 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCCc1cn2ccccc2n1)N1CCN(c2ccccc2O)CC1.I.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is KGUGDOKHEBLUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.HI/c1-22-21(23-10-9-17-16-27-11-5-4-8-20(27)24-17)26-14-12-25(13-15-26)18-6-2-3-7-19(18)28;/h2-8,11,16,28H,9-10,12-15H2,1H3,(H,22,23);1H.
What are the key properties of 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 506.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111184637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).