2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine

C22H35N5 — CID 111195492

IUPAC2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine
SMILESCCCCCC(C)N/C(=N/CCc1nccn1Cc1ccccc1)NCC
InChIInChI=1S/C22H35N5/c1-4-6-8-11-19(3)26-22(23-5-2)25-15-14-21-24-16-17-27(21)18-20-12-9-7-10-13-20/h7,9-10,12-13,16-17,19H,4-6,8,11,14-15,18H2,1-3H3,(H2,23,25,26)
InChIKeyUHCUPHKRZZKVGX-UHFFFAOYSA-N
MW369.56 g/mol
LogP4.00
Rot. Bonds11

About 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine

2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine (PubChem CID 111195492) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine
PubChem CID111195492
Molecular FormulaC22H35N5
Molecular Weight369.56 g/mol
Exact Mass369.29
IUPAC Name2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine
SMILESCCCCCC(C)N/C(=N/CCc1nccn1Cc1ccccc1)NCC
InChIInChI=1S/C22H35N5/c1-4-6-8-11-19(3)26-22(23-5-2)25-15-14-21-24-16-17-27(21)18-20-12-9-7-10-13-20/h7,9-10,12-13,16-17,19H,4-6,8,11,14-15,18H2,1-3H3,(H2,23,25,26)
InChIKeyUHCUPHKRZZKVGX-UHFFFAOYSA-N
XLogP4.00
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
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'}

Analyze 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914921
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
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 111970582
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-[2-(2-butoxyethoxy)ethyl]-3-ethylguanidine;hydroiodide
CID 111694045
1-ethyl-3-heptan-2-yl-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111773194
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863640
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
N-[2-[[N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111926929
1-benzyl-2-octylimidazole
CID 70491727
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111223650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
The IUPAC name of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine (CID 111195492) is 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine.
What is the SMILES notation for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
The canonical SMILES for 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine is CCCCCC(C)N/C(=N/CCc1nccn1Cc1ccccc1)NCC.
What is the InChIKey of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
The InChIKey is UHCUPHKRZZKVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-4-6-8-11-19(3)26-22(23-5-2)25-15-14-21-24-16-17-27(21)18-20-12-9-7-10-13-20/h7,9-10,12-13,16-17,19H,4-6,8,11,14-15,18H2,1-3H3,(H2,23,25,26).
What are the key properties of 2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-ethyl-3-heptan-2-ylguanidine has a molecular weight of 369.56 g/mol, XLogP of 4.00, 11 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-ethyl-3-heptan-2-ylguanidine is sourced from PubChem (CID 111195492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).