6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

C21H19F2N3 — CID 122650500

IUPAC6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1
InChIInChI=1S/C21H19F2N3/c22-15-3-1-4-16(11-15)25-9-7-14(8-10-25)21-20-17(5-2-6-18(20)23)19-12-24-13-26(19)21/h1-6,11-14,21H,7-10H2
InChIKeyIHRZDOLIIBFDBL-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.65
Rot. Bonds2

About 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 122650500) has the molecular formula C21H19F2N3 and a molecular weight of 351.40 g/mol. Its IUPAC name is 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID122650500
Molecular FormulaC21H19F2N3
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1
InChIInChI=1S/C21H19F2N3/c22-15-3-1-4-16(11-15)25-9-7-14(8-10-25)21-20-17(5-2-6-18(20)23)19-12-24-13-26(19)21/h1-6,11-14,21H,7-10H2
InChIKeyIHRZDOLIIBFDBL-UHFFFAOYSA-N
XLogP4.65
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.65
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-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 122650500) is 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is Fc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.
What is the InChIKey of 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is IHRZDOLIIBFDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3/c22-15-3-1-4-16(11-15)25-9-7-14(8-10-25)21-20-17(5-2-6-18(20)23)19-12-24-13-26(19)21/h1-6,11-14,21H,7-10H2.
What are the key properties of 6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 351.40 g/mol, XLogP of 4.65, 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-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 122650500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).