1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one

C17H23N3O2 — CID 10780654

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one
SMILESCOc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
InChIKeyQPVQJOFSWMSOFS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds3

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one (PubChem CID 10780654) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one
PubChem CID10780654
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one
SMILESCOc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
InChIKeyQPVQJOFSWMSOFS-UHFFFAOYSA-N
XLogP2.03
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one (CID 10780654) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one is COc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one?
The InChIKey is QPVQJOFSWMSOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 10780654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).