2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol

C18H20F2N2O — CID 123708692

IUPAC2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOCC(c1c2c(c3cncn13)=CC=CC2)C1CCC(F)(F)CC1
InChIInChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)15(10-23)17-14-4-2-1-3-13(14)16-9-21-11-22(16)17/h1-3,9,11-12,15,23H,4-8,10H2
InChIKeyFUIXSXXOAYFUQB-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol

2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol (PubChem CID 123708692) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
PubChem CID123708692
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOCC(c1c2c(c3cncn13)=CC=CC2)C1CCC(F)(F)CC1
InChIInChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)15(10-23)17-14-4-2-1-3-13(14)16-9-21-11-22(16)17/h1-3,9,11-12,15,23H,4-8,10H2
InChIKeyFUIXSXXOAYFUQB-UHFFFAOYSA-N
XLogP2.85
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol with MolForge

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Related Compounds

4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
CID 118690872
4-[(1R)-2-[(6R)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
CID 118690880
1-(1-adamantyl)-2,2-difluoro-2-[(7Z,9Z)-11-methylidene-5,6-dihydroimidazo[1,5-a]azonin-5-yl]ethanol
CID 122499118
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-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol
CID 123251202
2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
CID 123260969
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123283663
2-cyclohex-3-en-1-yl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123470978
4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one
CID 123607424
2-[4-(cyclopropylmethylidene)cyclohexyl]-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123810335
3,3-difluoro-4-[4-[1-hydroxy-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethyl]piperidin-1-yl]butan-2-one
CID 123830282

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol (CID 123708692) is 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol is OCC(c1c2c(c3cncn13)=CC=CC2)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The InChIKey is FUIXSXXOAYFUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)15(10-23)17-14-4-2-1-3-13(14)16-9-21-11-22(16)17/h1-3,9,11-12,15,23H,4-8,10H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol has a molecular weight of 318.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol is sourced from PubChem (CID 123708692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).