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

C21H20FN3 — CID 122650509

IUPAC7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESFc1ccc2c(c1)C(C1CCN(c3ccccc3)CC1)n1cncc1-2
InChIInChI=1S/C21H20FN3/c22-16-6-7-18-19(12-16)21(25-14-23-13-20(18)25)15-8-10-24(11-9-15)17-4-2-1-3-5-17/h1-7,12-15,21H,8-11H2
InChIKeyKTBGVOLFOJOQHZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.51
Rot. Bonds2

About 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole

7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 122650509) has the molecular formula C21H20FN3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID122650509
Molecular FormulaC21H20FN3
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
SMILESFc1ccc2c(c1)C(C1CCN(c3ccccc3)CC1)n1cncc1-2
InChIInChI=1S/C21H20FN3/c22-16-6-7-18-19(12-16)21(25-14-23-13-20(18)25)15-8-10-24(11-9-15)17-4-2-1-3-5-17/h1-7,12-15,21H,8-11H2
InChIKeyKTBGVOLFOJOQHZ-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 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole (CID 122650509) is 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole is Fc1ccc2c(c1)C(C1CCN(c3ccccc3)CC1)n1cncc1-2.
What is the InChIKey of 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is KTBGVOLFOJOQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3/c22-16-6-7-18-19(12-16)21(25-14-23-13-20(18)25)15-8-10-24(11-9-15)17-4-2-1-3-5-17/h1-7,12-15,21H,8-11H2.
What are the key properties of 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole?
7-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 7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 122650509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).