10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one

C17H22N2O — CID 25149070

IUPAC10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one
SMILESCCCCC12c3ccccc3C=CN1C(=O)NC2(C)C
InChIInChI=1S/C17H22N2O/c1-4-5-11-17-14-9-7-6-8-13(14)10-12-19(17)15(20)18-16(17,2)3/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyMWDPPLDMTJTMHL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.86
Rot. Bonds3

About 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one

10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one (PubChem CID 25149070) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one
PubChem CID25149070
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one
SMILESCCCCC12c3ccccc3C=CN1C(=O)NC2(C)C
InChIInChI=1S/C17H22N2O/c1-4-5-11-17-14-9-7-6-8-13(14)10-12-19(17)15(20)18-16(17,2)3/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyMWDPPLDMTJTMHL-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one?
The IUPAC name of 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one (CID 25149070) is 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one.
What is the SMILES notation for 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one?
The canonical SMILES for 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one is CCCCC12c3ccccc3C=CN1C(=O)NC2(C)C.
What is the InChIKey of 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one?
The InChIKey is MWDPPLDMTJTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-5-11-17-14-9-7-6-8-13(14)10-12-19(17)15(20)18-16(17,2)3/h6-10,12H,4-5,11H2,1-3H3,(H,18,20).
What are the key properties of 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one?
10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one has a molecular weight of 270.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-butyl-1,1-dimethyl-2H-imidazo[5,1-a]isoquinolin-3-one is sourced from PubChem (CID 25149070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).