1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone

C19H20N2O — CID 6540879

IUPAC1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone
SMILESCC(=O)N1C[C@H]2c3ccccc3CCN2[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(22)21-13-18-17-10-6-5-7-15(17)11-12-20(18)19(21)16-8-3-2-4-9-16/h2-10,18-19H,11-13H2,1H3/t18-,19+/m0/s1
InChIKeyCXYABMLZUZJIQY-RBUKOAKNSA-N
MW292.38 g/mol
LogP3.15
Rot. Bonds1

About 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone

1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone (PubChem CID 6540879) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone
PubChem CID6540879
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone
SMILESCC(=O)N1C[C@H]2c3ccccc3CCN2[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(22)21-13-18-17-10-6-5-7-15(17)11-12-20(18)19(21)16-8-3-2-4-9-16/h2-10,18-19H,11-13H2,1H3/t18-,19+/m0/s1
InChIKeyCXYABMLZUZJIQY-RBUKOAKNSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone with MolForge

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Related Compounds

2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 3652033
(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92699000
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155511171
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]ethanone
CID 98773772
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone
CID 120745365
2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014905
1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71417545
1-[(1S)-1-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 92857055
2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014903

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone?
The IUPAC name of 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone (CID 6540879) is 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone.
What is the SMILES notation for 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone?
The canonical SMILES for 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone is CC(=O)N1C[C@H]2c3ccccc3CCN2[C@H]1c1ccccc1.
What is the InChIKey of 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone?
The InChIKey is CXYABMLZUZJIQY-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(22)21-13-18-17-10-6-5-7-15(17)11-12-20(18)19(21)16-8-3-2-4-9-16/h2-10,18-19H,11-13H2,1H3/t18-,19+/m0/s1.
What are the key properties of 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone?
1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone is sourced from PubChem (CID 6540879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).