(2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol

C18H20N2O — CID 70874930

IUPAC(2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol
SMILESOC(/C=c1/c2ccccc2c2cncn12)C1CCCCC1
InChIInChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-13,18,21H,1-3,6-7H2/b16-10-
InChIKeyJYHYESPWJNAVOK-YBEGLDIGSA-N
MW280.37 g/mol
LogP2.93
Rot. Bonds2

About (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol

(2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol (PubChem CID 70874930) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol.

Molecular Properties

Compound Name(2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol
PubChem CID70874930
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol
SMILESOC(/C=c1/c2ccccc2c2cncn12)C1CCCCC1
InChIInChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-13,18,21H,1-3,6-7H2/b16-10-
InChIKeyJYHYESPWJNAVOK-YBEGLDIGSA-N
XLogP2.93
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol?
The IUPAC name of (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol (CID 70874930) is (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol.
What is the SMILES notation for (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol?
The canonical SMILES for (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol is OC(/C=c1/c2ccccc2c2cncn12)C1CCCCC1.
What is the InChIKey of (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol?
The InChIKey is JYHYESPWJNAVOK-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-13,18,21H,1-3,6-7H2/b16-10-.
What are the key properties of (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol?
(2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol has a molecular weight of 280.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-cyclohexyl-2-imidazo[1,5-b]isoindol-5-ylideneethanol is sourced from PubChem (CID 70874930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).