1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one

C16H22FN3O2 — CID 45173361

IUPAC1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-2-13(10-14)16(4-9-22-12-16)11-18-5-7-20-8-6-19-15(20)21/h1-3,10,18H,4-9,11-12H2,(H,19,21)
InChIKeyHBEDEVQBISMDCC-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.10
Rot. Bonds6

About 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one

1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 45173361) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
PubChem CID45173361
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C16H22FN3O2/c17-14-3-1-2-13(10-14)16(4-9-22-12-16)11-18-5-7-20-8-6-19-15(20)21/h1-3,10,18H,4-9,11-12H2,(H,19,21)
InChIKeyHBEDEVQBISMDCC-UHFFFAOYSA-N
XLogP1.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one (CID 45173361) is 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC1(c2cccc(F)c2)CCOC1.
What is the InChIKey of 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one?
The InChIKey is HBEDEVQBISMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-3-1-2-13(10-14)16(4-9-22-12-16)11-18-5-7-20-8-6-19-15(20)21/h1-3,10,18H,4-9,11-12H2,(H,19,21).
What are the key properties of 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one?
1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45173361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).