4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol

C18H21FN2O2 — CID 118690872

IUPAC4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
SMILESOC1CCC([C@@H](O)Cc2c3c(c4cncn24)=CC=C[C@@H]3F)CC1
InChIInChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,14,17,22-23H,4-8H2/t11?,12?,14-,17-/m0/s1
InChIKeyWHMBZVHOKAGLNO-NXDIHJKXSA-N
MW316.38 g/mol
LogP1.87
Rot. Bonds3

About 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol

4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol (PubChem CID 118690872) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
PubChem CID118690872
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
SMILESOC1CCC([C@@H](O)Cc2c3c(c4cncn24)=CC=C[C@@H]3F)CC1
InChIInChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,14,17,22-23H,4-8H2/t11?,12?,14-,17-/m0/s1
InChIKeyWHMBZVHOKAGLNO-NXDIHJKXSA-N
XLogP1.87
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
The IUPAC name of 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol (CID 118690872) is 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol is OC1CCC([C@@H](O)Cc2c3c(c4cncn24)=CC=C[C@@H]3F)CC1.
What is the InChIKey of 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
The InChIKey is WHMBZVHOKAGLNO-NXDIHJKXSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,14,17,22-23H,4-8H2/t11?,12?,14-,17-/m0/s1.
What are the key properties of 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol?
4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol has a molecular weight of 316.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-[(6S)-6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol is sourced from PubChem (CID 118690872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).