5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole

C18H23FN2 — CID 130455684

IUPAC5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole
SMILESFC(CC1C2C=CC=CC2c2cncn21)C1CCCCC1
InChIInChI=1S/C18H23FN2/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-17H,1-3,6-7,10H2
InChIKeyGHJUARMZJDNTGA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.57
Rot. Bonds3

About 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole

5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole (PubChem CID 130455684) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole
PubChem CID130455684
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole
SMILESFC(CC1C2C=CC=CC2c2cncn21)C1CCCCC1
InChIInChI=1S/C18H23FN2/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-17H,1-3,6-7,10H2
InChIKeyGHJUARMZJDNTGA-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole (CID 130455684) is 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole is FC(CC1C2C=CC=CC2c2cncn21)C1CCCCC1.
What is the InChIKey of 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
The InChIKey is GHJUARMZJDNTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-17H,1-3,6-7,10H2.
What are the key properties of 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole?
5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole has a molecular weight of 286.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2-fluoroethyl)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 130455684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).