1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide

C12H24IN5O3 — CID 111826339

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C12H23N5O3.HI/c1-3-13-11(14-5-4-8-20-2)15-6-7-17-10(18)9-16-12(17)19;/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15);1H
InChIKeyBNYGIERBZZLDSR-UHFFFAOYSA-N
MW413.26 g/mol
LogP-0.25
Rot. Bonds8

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide (PubChem CID 111826339) has the molecular formula C12H24IN5O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
PubChem CID111826339
Molecular FormulaC12H24IN5O3
Molecular Weight413.26 g/mol
Exact Mass413.09
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C12H23N5O3.HI/c1-3-13-11(14-5-4-8-20-2)15-6-7-17-10(18)9-16-12(17)19;/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15);1H
InChIKeyBNYGIERBZZLDSR-UHFFFAOYSA-N
XLogP-0.25
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111827930
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111830782
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 111829178
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-ethyl-3-prop-2-enylguanidine
CID 136922386
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111828774
2-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 111828775
1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 111826650
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812527
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111830305
2-(3-cyclohexyloxypropyl)-1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111501588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide (CID 111826339) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide is CCN/C(=N\CCCOC)NCCN1C(=O)CNC1=O.I.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
The InChIKey is BNYGIERBZZLDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3.HI/c1-3-13-11(14-5-4-8-20-2)15-6-7-17-10(18)9-16-12(17)19;/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15);1H.
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide has a molecular weight of 413.26 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111826339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).