5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole

C16H17FN2 — CID 134462563

IUPAC5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCCCC1)n1cncc1-2
InChIInChI=1S/C16H17FN2/c17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11/h4,7-11,16H,1-3,5-6H2
InChIKeyQATDUWMUWYMNES-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.17
Rot. Bonds1

About 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole

5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole (PubChem CID 134462563) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole
PubChem CID134462563
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole
SMILESFc1cccc2c1C(C1CCCCC1)n1cncc1-2
InChIInChI=1S/C16H17FN2/c17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11/h4,7-11,16H,1-3,5-6H2
InChIKeyQATDUWMUWYMNES-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole (CID 134462563) is 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole is Fc1cccc2c1C(C1CCCCC1)n1cncc1-2.
What is the InChIKey of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
The InChIKey is QATDUWMUWYMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11/h4,7-11,16H,1-3,5-6H2.
What are the key properties of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole?
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole has a molecular weight of 256.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 134462563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).