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

C10H16F2N2O2 — CID 106952835

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C10H16F2N2O2/c1-2-3-7-10(15)14-9(13-7)4-5-16-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyGQPRMUZMHACUNQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.36
Rot. Bonds7

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

2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952835) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952835
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C10H16F2N2O2/c1-2-3-7-10(15)14-9(13-7)4-5-16-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyGQPRMUZMHACUNQ-UHFFFAOYSA-N
XLogP1.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.36
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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Related Compounds

4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
CID 106952032
2-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952068
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
CID 106952572
2-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952607
4-Ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
CID 106952749
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
CID 106952804
4-Propyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952817
4-Propyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
CID 106952967
4-Propyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
CID 106952985
2-[2-(2,2-Difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953049
4-Propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,4-dihydroimidazol-5-one
CID 113896829
4-Propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
CID 113896901

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one (CID 106952835) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(CCOCC(F)F)NC1=O.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is GQPRMUZMHACUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-2-3-7-10(15)14-9(13-7)4-5-16-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one?
2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 234.25 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).