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

C21H25FN2O — CID 123251202

IUPAC2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol
SMILESCC(C)=C1CCC(C(CO)c2c3c(c4cncn24)=CC=CC3F)CC1
InChIInChI=1S/C21H25FN2O/c1-13(2)14-6-8-15(9-7-14)17(11-25)21-20-16(4-3-5-18(20)22)19-10-23-12-24(19)21/h3-5,10,12,15,17-18,25H,6-9,11H2,1-2H3
InChIKeyIUTVKHSFUFNKLV-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.02
Rot. Bonds3

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

2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol (PubChem CID 123251202) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol
PubChem CID123251202
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol
SMILESCC(C)=C1CCC(C(CO)c2c3c(c4cncn24)=CC=CC3F)CC1
InChIInChI=1S/C21H25FN2O/c1-13(2)14-6-8-15(9-7-14)17(11-25)21-20-16(4-3-5-18(20)22)19-10-23-12-24(19)21/h3-5,10,12,15,17-18,25H,6-9,11H2,1-2H3
InChIKeyIUTVKHSFUFNKLV-UHFFFAOYSA-N
XLogP4.02
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Launch Full Analysis

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-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-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123708692
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-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol?
The IUPAC name of 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol (CID 123251202) is 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol.
What is the SMILES notation for 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol?
The canonical SMILES for 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol is CC(C)=C1CCC(C(CO)c2c3c(c4cncn24)=CC=CC3F)CC1.
What is the InChIKey of 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol?
The InChIKey is IUTVKHSFUFNKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-13(2)14-6-8-15(9-7-14)17(11-25)21-20-16(4-3-5-18(20)22)19-10-23-12-24(19)21/h3-5,10,12,15,17-18,25H,6-9,11H2,1-2H3.
What are the key properties of 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol?
2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol has a molecular weight of 340.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol is sourced from PubChem (CID 123251202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).