N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

C16H24IN5 — CID 111032891

IUPACN'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCn1cnc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H23N5.HI/c17-16(20-10-4-1-5-11-20)18-9-6-12-21-13-19-14-7-2-3-8-15(14)21;/h2-3,7-8,13H,1,4-6,9-12H2,(H2,17,18);1H
InChIKeyOCKZSKRVFWCGIT-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.85
Rot. Bonds4

About N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111032891) has the molecular formula C16H24IN5 and a molecular weight of 413.31 g/mol. Its IUPAC name is N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111032891
Molecular FormulaC16H24IN5
Molecular Weight413.31 g/mol
Exact Mass413.11
IUPAC NameN'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCn1cnc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H23N5.HI/c17-16(20-10-4-1-5-11-20)18-9-6-12-21-13-19-14-7-2-3-8-15(14)21;/h2-3,7-8,13H,1,4-6,9-12H2,(H2,17,18);1H
InChIKeyOCKZSKRVFWCGIT-UHFFFAOYSA-N
XLogP2.85
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956388
N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119118212
2-[3-(benzimidazol-1-yl)propyl]-1-tert-butylguanidine
CID 111032826
2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
CID 110029560
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145475
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145476
2-[3-(benzimidazol-1-yl)propyl]-1-prop-2-enylguanidine
CID 136700074
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
3-(benzimidazol-1-yl)propyl N'-ethylcarbamimidothioate
CID 134202281
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111209996
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111810695

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111032891) is N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCn1cnc2ccccc21)N1CCCCC1.
What is the InChIKey of N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OCKZSKRVFWCGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.HI/c17-16(20-10-4-1-5-11-20)18-9-6-12-21-13-19-14-7-2-3-8-15(14)21;/h2-3,7-8,13H,1,4-6,9-12H2,(H2,17,18);1H.
What are the key properties of N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 413.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111032891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).