N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide

C17H25N5 — CID 110956388

IUPACN'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCn1cnc2ccccc21)N1CCCC1
InChIInChI=1S/C17H25N5/c1-2-18-17(21-11-5-6-12-21)19-10-7-13-22-14-20-15-8-3-4-9-16(15)22/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,18,19)
InChIKeyVEAWLMDVSKKEGK-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.49
Rot. Bonds5

About N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide

N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 110956388) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID110956388
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCn1cnc2ccccc21)N1CCCC1
InChIInChI=1S/C17H25N5/c1-2-18-17(21-11-5-6-12-21)19-10-7-13-22-14-20-15-8-3-4-9-16(15)22/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,18,19)
InChIKeyVEAWLMDVSKKEGK-UHFFFAOYSA-N
XLogP2.49
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.49
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'}

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Related Compounds

4-acetyl-N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpiperazine-1-carboximidamide
CID 110963601
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145476
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111209996
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145475
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300516
N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111032891
N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955415
2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109438636
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
2-[3-(benzimidazol-1-yl)propyl]-1-tert-butylguanidine
CID 111032826
N-ethyl-N'-[3-(N-methylanilino)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955759
2-[3-(benzimidazol-1-yl)propyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111142752

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide (CID 110956388) is N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\CCCn1cnc2ccccc21)N1CCCC1.
What is the InChIKey of N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is VEAWLMDVSKKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-18-17(21-11-5-6-12-21)19-10-7-13-22-14-20-15-8-3-4-9-16(15)22/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,18,19).
What are the key properties of N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 299.42 g/mol, XLogP of 2.49, 5 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]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).