5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

C16H12ClFN2O — CID 11130459

IUPAC5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
SMILESOC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21
InChIInChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
InChIKeyAAADQEFQWNJHOZ-UHFFFAOYSA-N
MW302.74 g/mol
LogP2.75
Rot. Bonds1

About 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol (PubChem CID 11130459) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
PubChem CID11130459
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
SMILESOC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21
InChIInChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
InChIKeyAAADQEFQWNJHOZ-UHFFFAOYSA-N
XLogP2.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol?
The IUPAC name of 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol (CID 11130459) is 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol.
What is the SMILES notation for 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol?
The canonical SMILES for 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol is OC1(c2ccc(Cl)cc2)c2cccc(F)c2C2=NCCN21.
What is the InChIKey of 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol?
The InChIKey is AAADQEFQWNJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2.
What are the key properties of 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol?
5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol has a molecular weight of 302.74 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-9-fluoro-2,3-dihydroimidazo[1,2-b]isoindol-5-ol is sourced from PubChem (CID 11130459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).