5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole

C18H21F3N2 — CID 146809141

IUPAC5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole
SMILESFC1=CCCC2=C1C(CC(F)(F)C1CCCCC1)n1cncc12
InChIInChI=1S/C18H21F3N2/c19-14-8-4-7-13-16-10-22-11-23(16)15(17(13)14)9-18(20,21)12-5-2-1-3-6-12/h8,10-12,15H,1-7,9H2
InChIKeyRZSASKNEYQEXPV-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.44
Rot. Bonds3

About 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole

5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole (PubChem CID 146809141) has the molecular formula C18H21F3N2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole
PubChem CID146809141
Molecular FormulaC18H21F3N2
Molecular Weight322.37 g/mol
Exact Mass322.17
IUPAC Name5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole
SMILESFC1=CCCC2=C1C(CC(F)(F)C1CCCCC1)n1cncc12
InChIInChI=1S/C18H21F3N2/c19-14-8-4-7-13-16-10-22-11-23(16)15(17(13)14)9-18(20,21)12-5-2-1-3-6-12/h8,10-12,15H,1-7,9H2
InChIKeyRZSASKNEYQEXPV-UHFFFAOYSA-N
XLogP5.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole with MolForge

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Related Compounds

8-Benzyl-5,5,6,6-tetrafluoroimidazo[1,5-a]pyridine
CID 134955799
5-(6-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
CID 70822346
5-[6-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
CID 70822381
7-[(1Z)-buta-1,3-dienyl]-5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-6-fluoro-5H-pyrrolo[1,2-c]imidazole
CID 118931152
2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
CID 123168407
2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-methylidenecyclohexyl)ethanol
CID 123242255
2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
CID 123260969
2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123708692
5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
CID 130300415
5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
CID 130300460
7-[(1Z)-buta-1,3-dienyl]-6-fluoro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
CID 130455671
6-[(1Z)-buta-1,3-dienyl]-7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
CID 130455674

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole (CID 146809141) is 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole is FC1=CCCC2=C1C(CC(F)(F)C1CCCCC1)n1cncc12.
What is the InChIKey of 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole?
The InChIKey is RZSASKNEYQEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2/c19-14-8-4-7-13-16-10-22-11-23(16)15(17(13)14)9-18(20,21)12-5-2-1-3-6-12/h8,10-12,15H,1-7,9H2.
What are the key properties of 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole?
5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole has a molecular weight of 322.37 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 146809141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).