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

C21H18F3N3 — CID 122650496

IUPAC5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole
SMILESFc1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1F
InChIInChI=1S/C21H18F3N3/c22-16-5-4-14(10-18(16)24)26-8-6-13(7-9-26)21-20-15(2-1-3-17(20)23)19-11-25-12-27(19)21/h1-5,10-13,21H,6-9H2
InChIKeyLPZLPBHHGAZLIR-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.79
Rot. Bonds2

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

5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole (PubChem CID 122650496) has the molecular formula C21H18F3N3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole
PubChem CID122650496
Molecular FormulaC21H18F3N3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole
SMILESFc1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1F
InChIInChI=1S/C21H18F3N3/c22-16-5-4-14(10-18(16)24)26-8-6-13(7-9-26)21-20-15(2-1-3-17(20)23)19-11-25-12-27(19)21/h1-5,10-13,21H,6-9H2
InChIKeyLPZLPBHHGAZLIR-UHFFFAOYSA-N
XLogP4.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole (CID 122650496) is 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole is Fc1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1F.
What is the InChIKey of 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole?
The InChIKey is LPZLPBHHGAZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3/c22-16-5-4-14(10-18(16)24)26-8-6-13(7-9-26)21-20-15(2-1-3-17(20)23)19-11-25-12-27(19)21/h1-5,10-13,21H,6-9H2.
What are the key properties of 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole?
5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole has a molecular weight of 369.39 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-difluorophenyl)piperidin-4-yl]-6-fluoro-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 122650496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).