(10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione

C19H15ClN2O3 — CID 95240391

IUPAC(10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione
SMILESCC(=O)N1C(=O)N2CCc3ccccc3[C@]2(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H15ClN2O3/c1-12(23)22-17(24)19(14-6-8-15(20)9-7-14)16-5-3-2-4-13(16)10-11-21(19)18(22)25/h2-9H,10-11H2,1H3/t19-/m1/s1
InChIKeyHEOFDSCWFPYSLP-LJQANCHMSA-N
MW354.79 g/mol
LogP2.95
Rot. Bonds1

About (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione

(10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione (PubChem CID 95240391) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione.

Molecular Properties

Compound Name(10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione
PubChem CID95240391
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione
SMILESCC(=O)N1C(=O)N2CCc3ccccc3[C@]2(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H15ClN2O3/c1-12(23)22-17(24)19(14-6-8-15(20)9-7-14)16-5-3-2-4-13(16)10-11-21(19)18(22)25/h2-9H,10-11H2,1H3/t19-/m1/s1
InChIKeyHEOFDSCWFPYSLP-LJQANCHMSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione with MolForge

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Related Compounds

3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione
CID 71390525
2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
CID 60864070
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
11b-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4,6,7-hexahydrobenzo[a]quinolizin-2-amine
CID 12821971
[1-(4-chlorophenyl)cyclopentyl]-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121153385
4-(4-chlorophenyl)-1-methylpiperidin-4-ol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 158541469
1-hydroperoxy-1,2-dimethyl-3,4-dihydroisoquinoline
CID 142046783
9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025950
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
diethyl 2-[(5S)-5-amino-3-methyl-4-oxo-1,2-dihydro-3-benzazepin-5-yl]-2-methylpropanedioate
CID 69038191
9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59026070

Frequently Asked Questions

What is the IUPAC name of (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione?
The IUPAC name of (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione (CID 95240391) is (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione.
What is the SMILES notation for (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione?
The canonical SMILES for (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione is CC(=O)N1C(=O)N2CCc3ccccc3[C@]2(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione?
The InChIKey is HEOFDSCWFPYSLP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-12(23)22-17(24)19(14-6-8-15(20)9-7-14)16-5-3-2-4-13(16)10-11-21(19)18(22)25/h2-9H,10-11H2,1H3/t19-/m1/s1.
What are the key properties of (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione?
(10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione has a molecular weight of 354.79 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-2-acetyl-10b-(4-chlorophenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline-1,3-dione is sourced from PubChem (CID 95240391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).