(2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one

C25H20N2O2 — CID 102150377

IUPAC(2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one
SMILESO=C1/C(=C\c2ccccc2)N(C(=O)c2ccccc2)C2c3ccccc3CCN12
InChIInChI=1S/C25H20N2O2/c28-24(20-12-5-2-6-13-20)27-22(17-18-9-3-1-4-10-18)25(29)26-16-15-19-11-7-8-14-21(19)23(26)27/h1-14,17,23H,15-16H2/b22-17+
InChIKeyMYQQTISKENOVNH-OQKWZONESA-N
MW380.45 g/mol
LogP4.27
Rot. Bonds2

About (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one

(2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one (PubChem CID 102150377) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name(2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one
PubChem CID102150377
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name(2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one
SMILESO=C1/C(=C\c2ccccc2)N(C(=O)c2ccccc2)C2c3ccccc3CCN12
InChIInChI=1S/C25H20N2O2/c28-24(20-12-5-2-6-13-20)27-22(17-18-9-3-1-4-10-18)25(29)26-16-15-19-11-7-8-14-21(19)23(26)27/h1-14,17,23H,15-16H2/b22-17+
InChIKeyMYQQTISKENOVNH-OQKWZONESA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one with MolForge

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Related Compounds

(3Z)-4-benzoyl-3-[(4-chlorophenyl)methylidene]-1,6,7,11b-tetrahydropyridazino[6,1-a]isoquinolin-2-one
CID 132513003
N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
CID 1357331
(5Z)-3-benzyl-5-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 146595738
[(1R)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 92762278
3-benzyl-5-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71955988
(13R,13aS)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxylic acid
CID 51659728
[4-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)piperidin-1-yl]-phenylmethanone
CID 21240902
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]benzamide
CID 71977454
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 101474371
(1S,10bR)-3-benzoyl-1-(4-methylphenyl)-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2-one
CID 132933854
2-benzoyl-10-iodo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 134419783

Frequently Asked Questions

What is the IUPAC name of (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one?
The IUPAC name of (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one (CID 102150377) is (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one?
The canonical SMILES for (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one is O=C1/C(=C\c2ccccc2)N(C(=O)c2ccccc2)C2c3ccccc3CCN12.
What is the InChIKey of (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one?
The InChIKey is MYQQTISKENOVNH-OQKWZONESA-N. The full InChI is InChI=1S/C25H20N2O2/c28-24(20-12-5-2-6-13-20)27-22(17-18-9-3-1-4-10-18)25(29)26-16-15-19-11-7-8-14-21(19)23(26)27/h1-14,17,23H,15-16H2/b22-17+.
What are the key properties of (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one?
(2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one has a molecular weight of 380.45 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-benzoyl-2-benzylidene-6,10b-dihydro-5H-imidazo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 102150377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).