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

C19H23FN2O2 — CID 118917052

IUPAC1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
SMILESCOc1cccc2c1-c1cncn1C2CCC1CCC(O)(F)CC1
InChIInChI=1S/C19H23FN2O2/c1-24-17-4-2-3-14-15(22-12-21-11-16(22)18(14)17)6-5-13-7-9-19(20,23)10-8-13/h2-4,11-13,15,23H,5-10H2,1H3
InChIKeyDVXZFSXCNHGHIU-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.09
Rot. Bonds4

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

1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol (PubChem CID 118917052) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
PubChem CID118917052
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
SMILESCOc1cccc2c1-c1cncn1C2CCC1CCC(O)(F)CC1
InChIInChI=1S/C19H23FN2O2/c1-24-17-4-2-3-14-15(22-12-21-11-16(22)18(14)17)6-5-13-7-9-19(20,23)10-8-13/h2-4,11-13,15,23H,5-10H2,1H3
InChIKeyDVXZFSXCNHGHIU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-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

4-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
CID 118917064
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-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]methanol
CID 118916947
N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide
CID 135229011
4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one
CID 118917009
1-(4,4-difluorocyclohexyl)-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine
CID 118916990
ethyl 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetate
CID 118931055
[4-[2-[6-[(E)-1-chloroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]-4-fluorocyclohexyl]methanol
CID 142610990
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
cyclohexyl 4-(5H-imidazo[5,1-a]isoindol-5-yl)butanoate
CID 118690890
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
CID 175796682
2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene
CID 151740350

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol (CID 118917052) is 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol is COc1cccc2c1-c1cncn1C2CCC1CCC(O)(F)CC1.
What is the InChIKey of 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The InChIKey is DVXZFSXCNHGHIU-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)6-5-13-7-9-19(20,23)10-8-13/h2-4,11-13,15,23H,5-10H2,1H3.
What are the key properties of 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
1-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 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 118917052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).