2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide

C12H24IN5O2 — CID 111827930

IUPAC2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCC/N=C(\NCC)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C12H23N5O2.HI/c1-3-5-6-14-11(13-4-2)15-7-8-17-10(18)9-16-12(17)19;/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15);1H
InChIKeyVFJFBFORQQDCDJ-UHFFFAOYSA-N
MW397.26 g/mol
LogP0.51
Rot. Bonds7

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

2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111827930) has the molecular formula C12H24IN5O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111827930
Molecular FormulaC12H24IN5O2
Molecular Weight397.26 g/mol
Exact Mass397.10
IUPAC Name2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCC/N=C(\NCC)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C12H23N5O2.HI/c1-3-5-6-14-11(13-4-2)15-7-8-17-10(18)9-16-12(17)19;/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15);1H
InChIKeyVFJFBFORQQDCDJ-UHFFFAOYSA-N
XLogP0.51
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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-methoxypropyl)guanidine;hydroiodide
CID 111826339
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812527
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
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111830305
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111826878
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
CID 111827421

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide (CID 111827930) is 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide is CCCC/N=C(\NCC)NCCN1C(=O)CNC1=O.I.
What is the InChIKey of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is VFJFBFORQQDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2.HI/c1-3-5-6-14-11(13-4-2)15-7-8-17-10(18)9-16-12(17)19;/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15);1H.
What are the key properties of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111827930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).