2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine

C23H33N5 — CID 111209049

IUPAC2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCc1nccn1Cc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C23H33N5/c1-2-24-23(26-15-13-20-9-5-3-6-10-20)27-16-14-22-25-17-18-28(22)19-21-11-7-4-8-12-21/h4,7-9,11-12,17-18H,2-3,5-6,10,13-16,19H2,1H3,(H2,24,26,27)
InChIKeyVEZIMFGEAWYOLW-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.92
Rot. Bonds9

About 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine

2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine (PubChem CID 111209049) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine
PubChem CID111209049
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCc1nccn1Cc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C23H33N5/c1-2-24-23(26-15-13-20-9-5-3-6-10-20)27-16-14-22-25-17-18-28(22)19-21-11-7-4-8-12-21/h4,7-9,11-12,17-18H,2-3,5-6,10,13-16,19H2,1H3,(H2,24,26,27)
InChIKeyVEZIMFGEAWYOLW-UHFFFAOYSA-N
XLogP3.92
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.92
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'}, {'alert_name': 'isolated_alkene', '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]-1,3-diethylguanidine
CID 110914921
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-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111562861
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-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
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111410346
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111223650
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
CID 111209126
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-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine?
The IUPAC name of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine (CID 111209049) is 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine?
The canonical SMILES for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine is CCN/C(=N\CCc1nccn1Cc1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine?
The InChIKey is VEZIMFGEAWYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-2-24-23(26-15-13-20-9-5-3-6-10-20)27-16-14-22-25-17-18-28(22)19-21-11-7-4-8-12-21/h4,7-9,11-12,17-18H,2-3,5-6,10,13-16,19H2,1H3,(H2,24,26,27).
What are the key properties of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine?
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine has a molecular weight of 379.55 g/mol, XLogP of 3.92, 9 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-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111209049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).