2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one

C15H17ClN2O — CID 68812455

IUPAC2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one
SMILESO=c1n(-c2ccc(Cl)cc2)cc2n1CCCCCC2
InChIInChI=1S/C15H17ClN2O/c16-12-6-8-13(9-7-12)18-11-14-5-3-1-2-4-10-17(14)15(18)19/h6-9,11H,1-5,10H2
InChIKeyCSMUDBJVPMGUBM-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.41
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one

2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one (PubChem CID 68812455) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one
PubChem CID68812455
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one
SMILESO=c1n(-c2ccc(Cl)cc2)cc2n1CCCCCC2
InChIInChI=1S/C15H17ClN2O/c16-12-6-8-13(9-7-12)18-11-14-5-3-1-2-4-10-17(14)15(18)19/h6-9,11H,1-5,10H2
InChIKeyCSMUDBJVPMGUBM-UHFFFAOYSA-N
XLogP3.41
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one (CID 68812455) is 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one is O=c1n(-c2ccc(Cl)cc2)cc2n1CCCCCC2.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one?
The InChIKey is CSMUDBJVPMGUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-12-6-8-13(9-7-12)18-11-14-5-3-1-2-4-10-17(14)15(18)19/h6-9,11H,1-5,10H2.
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one?
2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one has a molecular weight of 276.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8,9,10-hexahydroimidazo[1,5-a]azocin-3-one is sourced from PubChem (CID 68812455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).