N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C18H26IN5 — CID 111144335

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1-n1ccnc1)N1CCCC(C)C1.I
InChIInChI=1S/C18H25N5.HI/c1-15-6-5-10-22(13-15)18(19-2)21-12-16-7-3-4-8-17(16)23-11-9-20-14-23;/h3-4,7-9,11,14-15H,5-6,10,12-13H2,1-2H3,(H,19,21);1H
InChIKeyNDHHYHSXZONCCS-UHFFFAOYSA-N
MW439.35 g/mol
LogP3.30
Rot. Bonds3

About N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111144335) has the molecular formula C18H26IN5 and a molecular weight of 439.35 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111144335
Molecular FormulaC18H26IN5
Molecular Weight439.35 g/mol
Exact Mass439.12
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1-n1ccnc1)N1CCCC(C)C1.I
InChIInChI=1S/C18H25N5.HI/c1-15-6-5-10-22(13-15)18(19-2)21-12-16-7-3-4-8-17(16)23-11-9-20-14-23;/h3-4,7-9,11,14-15H,5-6,10,12-13H2,1-2H3,(H,19,21);1H
InChIKeyNDHHYHSXZONCCS-UHFFFAOYSA-N
XLogP3.30
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 53.30
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

ethyl 1-[N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110995019
N-[(2-imidazol-1-ylphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739044
tert-butyl N-[1-[N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729782
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
4-benzyl-N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 110960531
1-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110959252
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111144049
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
N-[(2-ethoxy-3-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144415
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine
CID 111262483

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111144335) is N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1ccccc1-n1ccnc1)N1CCCC(C)C1.I.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is NDHHYHSXZONCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.HI/c1-15-6-5-10-22(13-15)18(19-2)21-12-16-7-3-4-8-17(16)23-11-9-20-14-23;/h3-4,7-9,11,14-15H,5-6,10,12-13H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 439.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).