1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one

C16H20ClN3O — CID 10566536

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2ccc(Cl)cc2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H20ClN3O/c17-13-1-3-14(4-2-13)19-9-10-20(16(19)21)15-11-18-7-5-12(15)6-8-18/h1-4,12,15H,5-11H2
InChIKeyZPRGXIMBEQNKQE-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.68
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one (PubChem CID 10566536) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one
PubChem CID10566536
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2ccc(Cl)cc2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H20ClN3O/c17-13-1-3-14(4-2-13)19-9-10-20(16(19)21)15-11-18-7-5-12(15)6-8-18/h1-4,12,15H,5-11H2
InChIKeyZPRGXIMBEQNKQE-UHFFFAOYSA-N
XLogP2.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one (CID 10566536) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one is O=C1N(c2ccc(Cl)cc2)CCN1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one?
The InChIKey is ZPRGXIMBEQNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-13-1-3-14(4-2-13)19-9-10-20(16(19)21)15-11-18-7-5-12(15)6-8-18/h1-4,12,15H,5-11H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-chlorophenyl)imidazolidin-2-one has a molecular weight of 305.81 g/mol, XLogP of 2.68, 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-(4-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 10566536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).