1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole

C22H26N2 — CID 126754662

IUPAC1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN2Cc3ccccc3C21
InChIInChI=1S/C22H26N2/c1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24/h5-13,15-16,22H,14H2,1-4H3
InChIKeyRPQZBHUGJKTXBF-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.74
Rot. Bonds3

About 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole

1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole (PubChem CID 126754662) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole
PubChem CID126754662
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN2Cc3ccccc3C21
InChIInChI=1S/C22H26N2/c1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24/h5-13,15-16,22H,14H2,1-4H3
InChIKeyRPQZBHUGJKTXBF-UHFFFAOYSA-N
XLogP5.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole (CID 126754662) is 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole is CC(C)c1cccc(C(C)C)c1N1C=CN2Cc3ccccc3C21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole?
The InChIKey is RPQZBHUGJKTXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24/h5-13,15-16,22H,14H2,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole?
1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole has a molecular weight of 318.46 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-5,9b-dihydroimidazo[2,1-a]isoindole is sourced from PubChem (CID 126754662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).