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

C16H21N3O — CID 10730827

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one
SMILESO=C1N(c2ccccc2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H21N3O/c20-16-18(14-4-2-1-3-5-14)10-11-19(16)15-12-17-8-6-13(15)7-9-17/h1-5,13,15H,6-12H2
InChIKeyFBCZFWFTGPFXAA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds2

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

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one (PubChem CID 10730827) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one
PubChem CID10730827
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one
SMILESO=C1N(c2ccccc2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H21N3O/c20-16-18(14-4-2-1-3-5-14)10-11-19(16)15-12-17-8-6-13(15)7-9-17/h1-5,13,15H,6-12H2
InChIKeyFBCZFWFTGPFXAA-UHFFFAOYSA-N
XLogP2.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-phenyl)-imidazolidin-2-one
CID 10807044
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-phenyl)-imidazolidin-2-one
CID 9839497
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-imidazolidin-2-one
CID 10545037
1-(3-Iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45269020
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methylsulfanyl-phenyl)-imidazolidin-2-one
CID 10543543
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-m-tolyl-imidazolidin-2-one
CID 10517268
3-[3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-oxo-imidazolidin-1-yl]-benzonitrile
CID 10541977
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(4-chloro-phenyl)-imidazolidin-2-one
CID 10566536
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-nitro-phenyl)-imidazolidin-2-one
CID 10781678
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-bromo-phenyl)-imidazolidin-2-one
CID 10784029
2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 14762864
4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-N-phenylpiperazine-1-carboxamide
CID 57656915

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one (CID 10730827) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one is O=C1N(c2ccccc2)CCN1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one?
The InChIKey is FBCZFWFTGPFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-18(14-4-2-1-3-5-14)10-11-19(16)15-12-17-8-6-13(15)7-9-17/h1-5,13,15H,6-12H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 10730827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).