(1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one

C20H20N2O — CID 25149171

IUPAC(1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one
SMILESCC[C@@H]1NC(=O)N2C=Cc3ccccc3[C@]12Cc1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-18-20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)12-13-22(20)19(23)21-18/h3-13,18H,2,14H2,1H3,(H,21,23)/t18-,20+/m0/s1
InChIKeyGOMVXSLBUWKZQK-AZUAARDMSA-N
MW304.39 g/mol
LogP3.91
Rot. Bonds3

About (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one

(1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one (PubChem CID 25149171) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name(1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one
PubChem CID25149171
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one
SMILESCC[C@@H]1NC(=O)N2C=Cc3ccccc3[C@]12Cc1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-18-20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)12-13-22(20)19(23)21-18/h3-13,18H,2,14H2,1H3,(H,21,23)/t18-,20+/m0/s1
InChIKeyGOMVXSLBUWKZQK-AZUAARDMSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one?
The IUPAC name of (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one (CID 25149171) is (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one.
What is the SMILES notation for (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one?
The canonical SMILES for (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one is CC[C@@H]1NC(=O)N2C=Cc3ccccc3[C@]12Cc1ccccc1.
What is the InChIKey of (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one?
The InChIKey is GOMVXSLBUWKZQK-AZUAARDMSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-18-20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)12-13-22(20)19(23)21-18/h3-13,18H,2,14H2,1H3,(H,21,23)/t18-,20+/m0/s1.
What are the key properties of (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one?
(1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one has a molecular weight of 304.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10bR)-10b-benzyl-1-ethyl-1,2-dihydroimidazo[5,1-a]isoquinolin-3-one is sourced from PubChem (CID 25149171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).