methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate

C19H21FN2O2 — CID 134291911

IUPACmethyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-17(23)9-12-5-7-13(8-6-12)19-18-14(3-2-4-15(18)20)16-10-21-11-22(16)19/h2-4,10-13,19H,5-9H2,1H3/t12?,13?,19-/m1/s1
InChIKeyRQXGLQDEIBHMEW-PNQRNNEWSA-N
MW328.39 g/mol
LogP3.96
Rot. Bonds3

About methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate

methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate (PubChem CID 134291911) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate
PubChem CID134291911
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namemethyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate
SMILESCOC(=O)CC1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-17(23)9-12-5-7-13(8-6-12)19-18-14(3-2-4-15(18)20)16-10-21-11-22(16)19/h2-4,10-13,19H,5-9H2,1H3/t12?,13?,19-/m1/s1
InChIKeyRQXGLQDEIBHMEW-PNQRNNEWSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate with MolForge

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Related Compounds

4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
CID 145172553
4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide
CID 122650502
tert-butyl N-[2-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]ethyl]carbamate
CID 122650594
6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650477
2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol
CID 122650490
2-[4-[4-[4-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanamine
CID 134462576
2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
CID 122650593
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-hydroxy-1-bicyclo[2.2.2]octanyl)ethanone
CID 134489618
4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
CID 118917109
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;tris(N-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]acetamide);6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 158385617
6-fluoro-5-[1-[(3Z,5E)-4-fluoro-6-(1-methylpyrazol-4-yl)hepta-1,3,5-trien-3-yl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 134291828
(2S)-3-[4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]pyrazol-1-yl]propane-1,2-diol
CID 122650517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate?
The IUPAC name of methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate (CID 134291911) is methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate is COC(=O)CC1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate?
The InChIKey is RQXGLQDEIBHMEW-PNQRNNEWSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-17(23)9-12-5-7-13(8-6-12)19-18-14(3-2-4-15(18)20)16-10-21-11-22(16)19/h2-4,10-13,19H,5-9H2,1H3/t12?,13?,19-/m1/s1.
What are the key properties of methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate?
methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate has a molecular weight of 328.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexyl]acetate is sourced from PubChem (CID 134291911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).