2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine

C17H25N5 — CID 110914921

IUPAC2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCc1nccn1Cc1ccccc1)NCC
InChIInChI=1S/C17H25N5/c1-3-18-17(19-4-2)21-11-10-16-20-12-13-22(16)14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H2,18,19,21)
InChIKeyMFDGCHTYVPRFJV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.05
Rot. Bonds7

About 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine

2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine (PubChem CID 110914921) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
PubChem CID110914921
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCc1nccn1Cc1ccccc1)NCC
InChIInChI=1S/C17H25N5/c1-3-18-17(19-4-2)21-11-10-16-20-12-13-22(16)14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H2,18,19,21)
InChIKeyMFDGCHTYVPRFJV-UHFFFAOYSA-N
XLogP2.05
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134056
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(4-chlorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111196825
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863640
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine
CID 111195492
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111410346
N-[2-[[N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111926929
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine
CID 111209049
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997347
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110976578
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111223650
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530313
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111890717

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine?
The IUPAC name of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine (CID 110914921) is 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine is CCNC(=NCCc1nccn1Cc1ccccc1)NCC.
What is the InChIKey of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine?
The InChIKey is MFDGCHTYVPRFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-18-17(19-4-2)21-11-10-16-20-12-13-22(16)14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H2,18,19,21).
What are the key properties of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine?
2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine has a molecular weight of 299.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine is sourced from PubChem (CID 110914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).