3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid

C19H15BrN2O2 — CID 58415458

IUPAC3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C19H15BrN2O2/c20-14-7-5-13(6-8-14)19(10-9-17(23)24)16-4-2-1-3-15(16)18-21-11-12-22(18)19/h1-8,11-12H,9-10H2,(H,23,24)
InChIKeyOPDXFLGPXTWXEC-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.28
Rot. Bonds4

About 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid

3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid (PubChem CID 58415458) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid
PubChem CID58415458
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C19H15BrN2O2/c20-14-7-5-13(6-8-14)19(10-9-17(23)24)16-4-2-1-3-15(16)18-21-11-12-22(18)19/h1-8,11-12H,9-10H2,(H,23,24)
InChIKeyOPDXFLGPXTWXEC-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 46204641
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 58415614
2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide
CID 58415510
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 58415605
1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one
CID 143994698
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]propan-1-one
CID 58415496
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415585
N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane
CID 143994725
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 70885230
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415521
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide
CID 143994728
1-[4-(azetidin-1-ylmethyl)piperidin-1-yl]-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415443

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid?
The IUPAC name of 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid (CID 58415458) is 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid is O=C(O)CCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid?
The InChIKey is OPDXFLGPXTWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-14-7-5-13(6-8-14)19(10-9-17(23)24)16-4-2-1-3-15(16)18-21-11-12-22(18)19/h1-8,11-12H,9-10H2,(H,23,24).
What are the key properties of 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid?
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid has a molecular weight of 383.25 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid is sourced from PubChem (CID 58415458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).