1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

C15H26N6O — CID 111928579

IUPAC1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCCn1ccnc1
InChIInChI=1S/C15H26N6O/c1-2-17-15(18-6-5-8-20-11-7-16-13-20)19-12-14(22)21-9-3-4-10-21/h7,11,13H,2-6,8-10,12H2,1H3,(H2,17,18,19)
InChIKeyBHXIHKWQWRZBSL-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.45
Rot. Bonds7

About 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111928579) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111928579
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCCn1ccnc1
InChIInChI=1S/C15H26N6O/c1-2-17-15(18-6-5-8-20-11-7-16-13-20)19-12-14(22)21-9-3-4-10-21/h7,11,13H,2-6,8-10,12H2,1H3,(H2,17,18,19)
InChIKeyBHXIHKWQWRZBSL-UHFFFAOYSA-N
XLogP0.45
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[3-(azepan-1-yl)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111325404
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 111929775
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111929473
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
1-ethyl-3-(5-methylhexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111579811
1-ethyl-3-(2-methylsulfonylethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929069
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111370313
1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929111
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929020
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929188
1-(4-cyclopentylbutyl)-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111608690

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 111928579) is 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is CCN/C(=N\CC(=O)N1CCCC1)NCCCn1ccnc1.
What is the InChIKey of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is BHXIHKWQWRZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-2-17-15(18-6-5-8-20-11-7-16-13-20)19-12-14(22)21-9-3-4-10-21/h7,11,13H,2-6,8-10,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 306.41 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111928579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).