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

C23H30IN5O2 — CID 111829178

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C23H29N5O2.HI/c1-2-24-22(26-15-16-28-21(29)17-27-23(28)30)25-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,20H,2,13-17H2,1H3,(H,27,30)(H2,24,25,26);1H
InChIKeyTZZVINHPSABYPW-UHFFFAOYSA-N
MW535.43 g/mol
LogP2.93
Rot. Bonds9

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

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide (PubChem CID 111829178) has the molecular formula C23H30IN5O2 and a molecular weight of 535.43 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
PubChem CID111829178
Molecular FormulaC23H30IN5O2
Molecular Weight535.43 g/mol
Exact Mass535.14
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCN1C(=O)CNC1=O.I
InChIInChI=1S/C23H29N5O2.HI/c1-2-24-22(26-15-16-28-21(29)17-27-23(28)30)25-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,20H,2,13-17H2,1H3,(H,27,30)(H2,24,25,26);1H
InChIKeyTZZVINHPSABYPW-UHFFFAOYSA-N
XLogP2.93
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
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-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111830782
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 111826339
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
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
CID 111233809
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111233604
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-ethyl-3-prop-2-enylguanidine
CID 136922386
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 111233859
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 109389807
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110977082

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide (CID 111829178) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCN1C(=O)CNC1=O.I.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide?
The InChIKey is TZZVINHPSABYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2.HI/c1-2-24-22(26-15-16-28-21(29)17-27-23(28)30)25-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,20H,2,13-17H2,1H3,(H,27,30)(H2,24,25,26);1H.
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide has a molecular weight of 535.43 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111829178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).