4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol

C19H23FN2O2 — CID 118917064

IUPAC4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
SMILESCOc1cccc2c1-c1cncn1C2CCC1(F)CCC(O)CC1
InChIInChI=1S/C19H23FN2O2/c1-24-17-4-2-3-14-15(22-12-21-11-16(22)18(14)17)7-10-19(20)8-5-13(23)6-9-19/h2-4,11-13,15,23H,5-10H2,1H3
InChIKeyMWZFIKKRBLFSLH-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.88
Rot. Bonds4

About 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol

4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol (PubChem CID 118917064) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
PubChem CID118917064
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
SMILESCOc1cccc2c1-c1cncn1C2CCC1(F)CCC(O)CC1
InChIInChI=1S/C19H23FN2O2/c1-24-17-4-2-3-14-15(22-12-21-11-16(22)18(14)17)7-10-19(20)8-5-13(23)6-9-19/h2-4,11-13,15,23H,5-10H2,1H3
InChIKeyMWZFIKKRBLFSLH-UHFFFAOYSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
CID 118917052
tert-butyl-[4-fluoro-4-[2-(9-phenylmethoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]oxy-dimethylsilane
CID 131746665
4-fluoro-4-[2-(12-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethyl]cyclohexan-1-ol
CID 118917040
4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one
CID 118917009
[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]methanol
CID 118916947
[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol
CID 142610990
7-[2-(1-fluorocyclohexyl)ethyl]-12-methyl-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene
CID 142610979
ethyl 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetate
CID 118931055
1-cyclohexyl-2-(10-methoxy-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;deuterioethane;7-[2-(1-fluorocyclohexyl)ethyl]-10-methoxy-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene;methane
CID 162266419
1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexane-1,4-diol
CID 118633334
(7R)-7-[2-(1-fluorocyclohexyl)ethyl]-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
CID 130360275
(7S)-7-[2-(4-fluorooxan-4-yl)ethyl]-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
CID 130360636

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol (CID 118917064) is 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol is COc1cccc2c1-c1cncn1C2CCC1(F)CCC(O)CC1.
What is the InChIKey of 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The InChIKey is MWZFIKKRBLFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-17-4-2-3-14-15(22-12-21-11-16(22)18(14)17)7-10-19(20)8-5-13(23)6-9-19/h2-4,11-13,15,23H,5-10H2,1H3.
What are the key properties of 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol has a molecular weight of 330.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 118917064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).