N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

C14H24F3IN6O2 — CID 109378907

IUPACN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1C(=O)CNC1=O)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C14H23F3N6O2.HI/c1-10(14(15,16)17)21-5-7-22(8-6-21)12(18-2)19-3-4-23-11(24)9-20-13(23)25;/h10H,3-9H2,1-2H3,(H,18,19)(H,20,25);1H
InChIKeyMLFZYCKCTQSGGL-UHFFFAOYSA-N
MW492.28 g/mol
LogP0.30
Rot. Bonds4

About N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 109378907) has the molecular formula C14H24F3IN6O2 and a molecular weight of 492.28 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID109378907
Molecular FormulaC14H24F3IN6O2
Molecular Weight492.28 g/mol
Exact Mass492.10
IUPAC NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1C(=O)CNC1=O)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C14H23F3N6O2.HI/c1-10(14(15,16)17)21-5-7-22(8-6-21)12(18-2)19-3-4-23-11(24)9-20-13(23)25;/h10H,3-9H2,1-2H3,(H,18,19)(H,20,25);1H
InChIKeyMLFZYCKCTQSGGL-UHFFFAOYSA-N
XLogP0.30
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 109378907) is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCN1C(=O)CNC1=O)N1CCN(C(C)C(F)(F)F)CC1.I.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is MLFZYCKCTQSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N6O2.HI/c1-10(14(15,16)17)21-5-7-22(8-6-21)12(18-2)19-3-4-23-11(24)9-20-13(23)25;/h10H,3-9H2,1-2H3,(H,18,19)(H,20,25);1H.
What are the key properties of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 492.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109378907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).