1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine

C17H25N5 — CID 111228267

IUPAC1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C17H25N5/c1-3-10-20-17(18-2)21-11-9-16-19-12-13-22(16)14-15-7-5-4-6-8-15/h4-8,12-13H,3,9-11,14H2,1-2H3,(H2,18,20,21)
InChIKeyGCTXEOUZFPXIPC-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.05
Rot. Bonds7

About 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine

1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine (PubChem CID 111228267) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
PubChem CID111228267
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C17H25N5/c1-3-10-20-17(18-2)21-11-9-16-19-12-13-22(16)14-15-7-5-4-6-8-15/h4-8,12-13H,3,9-11,14H2,1-2H3,(H2,18,20,21)
InChIKeyGCTXEOUZFPXIPC-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

1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942587
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111224755
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474090
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111339368
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111404907
2-[[N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111383571
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 110987447
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376625
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(2-cycloheptyloxyethyl)-2-methylguanidine;hydroiodide
CID 111575134
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111602523
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111388678
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111650323

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine (CID 111228267) is 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine?
The InChIKey is GCTXEOUZFPXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-10-20-17(18-2)21-11-9-16-19-12-13-22(16)14-15-7-5-4-6-8-15/h4-8,12-13H,3,9-11,14H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine?
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine 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 1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 111228267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).