1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one

C18H24ClN3O2 — CID 19797408

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C2CC3CCC(C2)N3C)C1=O
InChIInChI=1S/C18H24ClN3O2/c1-20-13-4-5-14(20)11-15(10-13)21-7-8-22(18(21)23)16-9-12(19)3-6-17(16)24-2/h3,6,9,13-15H,4-5,7-8,10-11H2,1-2H3
InChIKeyPYAURESDWUMJMR-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.22
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one

1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one (PubChem CID 19797408) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one
PubChem CID19797408
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C2CC3CCC(C2)N3C)C1=O
InChIInChI=1S/C18H24ClN3O2/c1-20-13-4-5-14(20)11-15(10-13)21-7-8-22(18(21)23)16-9-12(19)3-6-17(16)24-2/h3,6,9,13-15H,4-5,7-8,10-11H2,1-2H3
InChIKeyPYAURESDWUMJMR-UHFFFAOYSA-N
XLogP3.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one (CID 19797408) is 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one is COc1ccc(Cl)cc1N1CCN(C2CC3CCC(C2)N3C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one?
The InChIKey is PYAURESDWUMJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-20-13-4-5-14(20)11-15(10-13)21-7-8-22(18(21)23)16-9-12(19)3-6-17(16)24-2/h3,6,9,13-15H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one?
1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one has a molecular weight of 349.86 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 19797408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).