5-cyclohexyl-5H-imidazo[5,1-a]isoindole

C16H18N2 — CID 137374390

IUPAC5-cyclohexyl-5H-imidazo[5,1-a]isoindole
SMILESc1ccc2c(c1)-c1cncn1C2C1CCCCC1
InChIInChI=1S/C16H18N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h4-5,8-12,16H,1-3,6-7H2
InChIKeyZXUNUYPKRQCENX-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.03
Rot. Bonds1

About 5-cyclohexyl-5H-imidazo[5,1-a]isoindole

5-cyclohexyl-5H-imidazo[5,1-a]isoindole (PubChem CID 137374390) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-cyclohexyl-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-cyclohexyl-5H-imidazo[5,1-a]isoindole
PubChem CID137374390
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name5-cyclohexyl-5H-imidazo[5,1-a]isoindole
SMILESc1ccc2c(c1)-c1cncn1C2C1CCCCC1
InChIInChI=1S/C16H18N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h4-5,8-12,16H,1-3,6-7H2
InChIKeyZXUNUYPKRQCENX-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-cyclohexyl-5H-imidazo[5,1-a]isoindole (CID 137374390) is 5-cyclohexyl-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-cyclohexyl-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-cyclohexyl-5H-imidazo[5,1-a]isoindole is c1ccc2c(c1)-c1cncn1C2C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-5H-imidazo[5,1-a]isoindole?
The InChIKey is ZXUNUYPKRQCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h4-5,8-12,16H,1-3,6-7H2.
What are the key properties of 5-cyclohexyl-5H-imidazo[5,1-a]isoindole?
5-cyclohexyl-5H-imidazo[5,1-a]isoindole has a molecular weight of 238.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 137374390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).