N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide

C16H23N5 — CID 110919750

IUPACN'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H23N5/c1-12-7-10-21(11-8-12)16(17)18-9-6-15-19-13-4-2-3-5-14(13)20-15/h2-5,12H,6-11H2,1H3,(H2,17,18)(H,19,20)
InChIKeyUELCYEBNLUEHQZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.15
Rot. Bonds3

About N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919750) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919750
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H23N5/c1-12-7-10-21(11-8-12)16(17)18-9-6-15-19-13-4-2-3-5-14(13)20-15/h2-5,12H,6-11H2,1H3,(H2,17,18)(H,19,20)
InChIKeyUELCYEBNLUEHQZ-UHFFFAOYSA-N
XLogP2.15
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
CID 111033753
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111033752
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
N'-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111064225
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 110919439
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 111108923
N'-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956007
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110919438
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylguanidine;hydroiodide
CID 111033686

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110919750) is N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is UELCYEBNLUEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-7-10-21(11-8-12)16(17)18-9-6-15-19-13-4-2-3-5-14(13)20-15/h2-5,12H,6-11H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 285.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).