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

C15H21N5 — CID 111033753

IUPACN'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCc1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C15H21N5/c16-15(20-10-4-1-5-11-20)17-9-8-14-18-12-6-2-3-7-13(12)19-14/h2-3,6-7H,1,4-5,8-11H2,(H2,16,17)(H,18,19)
InChIKeyQCHCRRMJEONZIR-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.91
Rot. Bonds3

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

N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111033753) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111033753
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
SMILESN/C(=N\CCc1nc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C15H21N5/c16-15(20-10-4-1-5-11-20)17-9-8-14-18-12-6-2-3-7-13(12)19-14/h2-3,6-7H,1,4-5,8-11H2,(H2,16,17)(H,18,19)
InChIKeyQCHCRRMJEONZIR-UHFFFAOYSA-N
XLogP1.91
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.91
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;hydroiodide
CID 111033752
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
N'-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956007
N'-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111064225
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
N'-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111095535
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylguanidine;hydroiodide
CID 111033686
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914745
2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine
CID 63641014

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide (CID 111033753) is N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide is N/C(=N\CCc1nc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is QCHCRRMJEONZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c16-15(20-10-4-1-5-11-20)17-9-8-14-18-12-6-2-3-7-13(12)19-14/h2-3,6-7H,1,4-5,8-11H2,(H2,16,17)(H,18,19).
What are the key properties of N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide?
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 271.37 g/mol, XLogP of 1.91, 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]piperidine-1-carboximidamide is sourced from PubChem (CID 111033753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).