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

C10H16F3N5O2 — CID 109471493

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NCCC(F)(F)F
InChIInChI=1S/C10H16F3N5O2/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)
InChIKeyLTLCBEUAIXCBSY-UHFFFAOYSA-N
MW295.27 g/mol
LogP-0.34
Rot. Bonds5

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

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109471493) has the molecular formula C10H16F3N5O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109471493
Molecular FormulaC10H16F3N5O2
Molecular Weight295.27 g/mol
Exact Mass295.13
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NCCC(F)(F)F
InChIInChI=1S/C10H16F3N5O2/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)
InChIKeyLTLCBEUAIXCBSY-UHFFFAOYSA-N
XLogP-0.34
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 5-0.34
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'}

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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?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 109471493) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(/NCCN1C(=O)CNC1=O)NCCC(F)(F)F.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is LTLCBEUAIXCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2/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).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 295.27 g/mol, XLogP of -0.34, 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 is sourced from PubChem (CID 109471493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).