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

C10H17F3IN5O2 — CID 109471492

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NCCC(F)(F)F.I
InChIInChI=1S/C10H16F3N5O2.HI/c1-14-8(15-3-2-10(11,12)13)16-4-5-18-7(19)6-17-9(18)20;/h2-6H2,1H3,(H,17,20)(H2,14,15,16);1H
InChIKeyFPSXJRZMPOTUEF-UHFFFAOYSA-N
MW423.18 g/mol
LogP0.27
Rot. Bonds5

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

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 109471492) has the molecular formula C10H17F3IN5O2 and a molecular weight of 423.18 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID109471492
Molecular FormulaC10H17F3IN5O2
Molecular Weight423.18 g/mol
Exact Mass423.04
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NCCC(F)(F)F.I
InChIInChI=1S/C10H16F3N5O2.HI/c1-14-8(15-3-2-10(11,12)13)16-4-5-18-7(19)6-17-9(18)20;/h2-6H2,1H3,(H,17,20)(H2,14,15,16);1H
InChIKeyFPSXJRZMPOTUEF-UHFFFAOYSA-N
XLogP0.27
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 109471492) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is C/N=C(/NCCN1C(=O)CNC1=O)NCCC(F)(F)F.I.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is FPSXJRZMPOTUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2.HI/c1-14-8(15-3-2-10(11,12)13)16-4-5-18-7(19)6-17-9(18)20;/h2-6H2,1H3,(H,17,20)(H2,14,15,16);1H.
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 423.18 g/mol, XLogP of 0.27, 5 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-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 109471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).