6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole

C21H20FN3 — CID 122650505

IUPAC6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2
InChIInChI=1S/C21H20FN3/c22-18-8-4-7-17-19-13-23-14-25(19)21(20(17)18)15-9-11-24(12-10-15)16-5-2-1-3-6-16/h1-8,13-15,21H,9-12H2
InChIKeyDURRNOMJUBJEMB-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.51
Rot. Bonds2

About 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole

6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 122650505) has the molecular formula C21H20FN3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID122650505
Molecular FormulaC21H20FN3
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2
InChIInChI=1S/C21H20FN3/c22-18-8-4-7-17-19-13-23-14-25(19)21(20(17)18)15-9-11-24(12-10-15)16-5-2-1-3-6-16/h1-8,13-15,21H,9-12H2
InChIKeyDURRNOMJUBJEMB-UHFFFAOYSA-N
XLogP4.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole (CID 122650505) is 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole is Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.
What is the InChIKey of 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is DURRNOMJUBJEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3/c22-18-8-4-7-17-19-13-23-14-25(19)21(20(17)18)15-9-11-24(12-10-15)16-5-2-1-3-6-16/h1-8,13-15,21H,9-12H2.
What are the key properties of 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 333.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 122650505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).