3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one

C13H25FN2O4 — CID 139925742

IUPAC3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one
SMILESCCOCC(C)N1C(=O)N(CCOCCOC)CC1F
InChIInChI=1S/C13H25FN2O4/c1-4-19-10-11(2)16-12(14)9-15(13(16)17)5-6-20-8-7-18-3/h11-12H,4-10H2,1-3H3
InChIKeySNQXYCYWCNPERQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.11
Rot. Bonds10

About 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one

3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one (PubChem CID 139925742) has the molecular formula C13H25FN2O4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one
PubChem CID139925742
Molecular FormulaC13H25FN2O4
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one
SMILESCCOCC(C)N1C(=O)N(CCOCCOC)CC1F
InChIInChI=1S/C13H25FN2O4/c1-4-19-10-11(2)16-12(14)9-15(13(16)17)5-6-20-8-7-18-3/h11-12H,4-10H2,1-3H3
InChIKeySNQXYCYWCNPERQ-UHFFFAOYSA-N
XLogP1.11
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one (CID 139925742) is 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one is CCOCC(C)N1C(=O)N(CCOCCOC)CC1F.
What is the InChIKey of 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one?
The InChIKey is SNQXYCYWCNPERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O4/c1-4-19-10-11(2)16-12(14)9-15(13(16)17)5-6-20-8-7-18-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one?
3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one has a molecular weight of 292.35 g/mol, XLogP of 1.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yl)-4-fluoro-1-[2-(2-methoxyethoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).