1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one

C26H26ClN3O — CID 56683318

IUPAC1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
SMILESO=C(CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1C2CCCC1CC2
InChIInChI=1S/C26H26ClN3O/c27-19-10-8-18(9-11-19)26(15-14-24(31)30-20-4-3-5-21(30)13-12-20)23-7-2-1-6-22(23)25-28-16-17-29(25)26/h1-2,6-11,16-17,20-21H,3-5,12-15H2
InChIKeyHORZLDFSYQKFIK-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.63
Rot. Bonds4

About 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one

1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one (PubChem CID 56683318) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
PubChem CID56683318
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
SMILESO=C(CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1C2CCCC1CC2
InChIInChI=1S/C26H26ClN3O/c27-19-10-8-18(9-11-19)26(15-14-24(31)30-20-4-3-5-21(30)13-12-20)23-7-2-1-6-22(23)25-28-16-17-29(25)26/h1-2,6-11,16-17,20-21H,3-5,12-15H2
InChIKeyHORZLDFSYQKFIK-UHFFFAOYSA-N
XLogP5.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one (CID 56683318) is 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one is O=C(CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1C2CCCC1CC2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The InChIKey is HORZLDFSYQKFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c27-19-10-8-18(9-11-19)26(15-14-24(31)30-20-4-3-5-21(30)13-12-20)23-7-2-1-6-22(23)25-28-16-17-29(25)26/h1-2,6-11,16-17,20-21H,3-5,12-15H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one has a molecular weight of 431.97 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one is sourced from PubChem (CID 56683318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).