4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one

C10H15F3N2O2 — CID 106952804

IUPAC4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CCOCC(F)(F)F)NC1=O
InChIInChI=1S/C10H15F3N2O2/c1-2-3-7-9(16)15-8(14-7)4-5-17-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyHDMGJPHRLFPYJH-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.65
Rot. Bonds6

About 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one

4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106952804) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
PubChem CID106952804
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CCOCC(F)(F)F)NC1=O
InChIInChI=1S/C10H15F3N2O2/c1-2-3-7-9(16)15-8(14-7)4-5-17-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyHDMGJPHRLFPYJH-UHFFFAOYSA-N
XLogP1.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one (CID 106952804) is 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one is CCCC1N=C(CCOCC(F)(F)F)NC1=O.
What is the InChIKey of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is HDMGJPHRLFPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-3-7-9(16)15-8(14-7)4-5-17-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one?
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 252.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).