3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline

C16H18N2 — CID 58517919

IUPAC3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
SMILESCC(C)(C)Cc1cnc2c3ccccc3ccn12
InChIInChI=1S/C16H18N2/c1-16(2,3)10-13-11-17-15-14-7-5-4-6-12(14)8-9-18(13)15/h4-9,11H,10H2,1-3H3
InChIKeyBSPCWFIRUSQVHC-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.08
Rot. Bonds1

About 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline

3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline (PubChem CID 58517919) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
PubChem CID58517919
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
SMILESCC(C)(C)Cc1cnc2c3ccccc3ccn12
InChIInChI=1S/C16H18N2/c1-16(2,3)10-13-11-17-15-14-7-5-4-6-12(14)8-9-18(13)15/h4-9,11H,10H2,1-3H3
InChIKeyBSPCWFIRUSQVHC-UHFFFAOYSA-N
XLogP4.08
TPSA17.30 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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline (CID 58517919) is 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline is CC(C)(C)Cc1cnc2c3ccccc3ccn12.
What is the InChIKey of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline?
The InChIKey is BSPCWFIRUSQVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-16(2,3)10-13-11-17-15-14-7-5-4-6-12(14)8-9-18(13)15/h4-9,11H,10H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline?
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline has a molecular weight of 238.33 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).