1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one

C16H19Cl2N3O — CID 10807044

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H19Cl2N3O/c17-12-7-13(18)9-14(8-12)20-5-6-21(16(20)22)15-10-19-3-1-11(15)2-4-19/h7-9,11,15H,1-6,10H2
InChIKeyUPZCJUXKSYTGKU-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.33
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one (PubChem CID 10807044) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one
PubChem CID10807044
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H19Cl2N3O/c17-12-7-13(18)9-14(8-12)20-5-6-21(16(20)22)15-10-19-3-1-11(15)2-4-19/h7-9,11,15H,1-6,10H2
InChIKeyUPZCJUXKSYTGKU-UHFFFAOYSA-N
XLogP3.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.33
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-chloro-phenyl)-imidazolidin-2-one
CID 9839497
1-(3-Chloro-phenyl)-3-(9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-imidazolidin-2-one
CID 20081924
1-[2-(Azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one
CID 46882007
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-phenyl-imidazolidin-2-one
CID 10730827
1-[2-(4-Cyclohexyl-piperazin-1-yl)-4-methyl-pentyl]-3-(3,5-dichloro-phenyl)-urea
CID 44400990
4-(3-chlorophenyl)-N-methyl-N-(2-(piperidin-1-yl)ethyl)piperazine-1-carboxamide
CID 44579476
1-(3-Chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45267270
1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
CID 45267471
1-(3-Chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 45268148
1-(3-Chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45270702
1-(3-Chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45271510

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one (CID 10807044) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one is O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one?
The InChIKey is UPZCJUXKSYTGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-12-7-13(18)9-14(8-12)20-5-6-21(16(20)22)15-10-19-3-1-11(15)2-4-19/h7-9,11,15H,1-6,10H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,5-dichlorophenyl)imidazolidin-2-one has a molecular weight of 340.25 g/mol, XLogP of 3.33, 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-(3,5-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 10807044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).