5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole

C16H18N2 — CID 137374403

IUPAC5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
SMILESCC1(C)CC(C2c3ccccc3-c3cncn32)C1
InChIInChI=1S/C16H18N2/c1-16(2)7-11(8-16)15-13-6-4-3-5-12(13)14-9-17-10-18(14)15/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeyUFAHSBASIMYMDE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.89
Rot. Bonds1

About 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole

5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole (PubChem CID 137374403) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
PubChem CID137374403
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
SMILESCC1(C)CC(C2c3ccccc3-c3cncn32)C1
InChIInChI=1S/C16H18N2/c1-16(2)7-11(8-16)15-13-6-4-3-5-12(13)14-9-17-10-18(14)15/h3-6,9-11,15H,7-8H2,1-2H3
InChIKeyUFAHSBASIMYMDE-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole (CID 137374403) is 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole is CC1(C)CC(C2c3ccccc3-c3cncn32)C1.
What is the InChIKey of 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is UFAHSBASIMYMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-16(2)7-11(8-16)15-13-6-4-3-5-12(13)14-9-17-10-18(14)15/h3-6,9-11,15H,7-8H2,1-2H3.
What are the key properties of 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole?
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 238.33 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 137374403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).