1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol

C19H23FN2O — CID 70874315

IUPAC1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1c2c(F)cccc2-c2cncn21
InChIInChI=1S/C19H23FN2O/c20-16-8-4-7-15-18-11-21-12-22(18)17(19(15)16)10-14(23)9-13-5-2-1-3-6-13/h4,7-8,11-14,17,23H,1-3,5-6,9-10H2
InChIKeyOBBNZIWTQPASCP-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.31
Rot. Bonds4

About 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol

1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol (PubChem CID 70874315) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol
PubChem CID70874315
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1c2c(F)cccc2-c2cncn21
InChIInChI=1S/C19H23FN2O/c20-16-8-4-7-15-18-11-21-12-22(18)17(19(15)16)10-14(23)9-13-5-2-1-3-6-13/h4,7-8,11-14,17,23H,1-3,5-6,9-10H2
InChIKeyOBBNZIWTQPASCP-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol (CID 70874315) is 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol is OC(CC1CCCCC1)CC1c2c(F)cccc2-c2cncn21.
What is the InChIKey of 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
The InChIKey is OBBNZIWTQPASCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-16-8-4-7-15-18-11-21-12-22(18)17(19(15)16)10-14(23)9-13-5-2-1-3-6-13/h4,7-8,11-14,17,23H,1-3,5-6,9-10H2.
What are the key properties of 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol has a molecular weight of 314.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol is sourced from PubChem (CID 70874315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).