2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline

C23H22N2O2S — CID 3652033

IUPAC2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
SMILESO=S(=O)(c1ccccc1)N1CC2c3ccccc3CCN2C1c1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-28(27,20-12-5-2-6-13-20)25-17-22-21-14-8-7-9-18(21)15-16-24(22)23(25)19-10-3-1-4-11-19/h1-14,22-23H,15-17H2
InChIKeyKMUAPPVLJUNPNB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.99
Rot. Bonds3

About 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline

2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline (PubChem CID 3652033) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
PubChem CID3652033
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
SMILESO=S(=O)(c1ccccc1)N1CC2c3ccccc3CCN2C1c1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-28(27,20-12-5-2-6-13-20)25-17-22-21-14-8-7-9-18(21)15-16-24(22)23(25)19-10-3-1-4-11-19/h1-14,22-23H,15-17H2
InChIKeyKMUAPPVLJUNPNB-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92699000
(3R,10bR)-2-(benzenesulfonyl)-3-[1-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92905545
(3S,10bR)-2-(benzenesulfonyl)-3-[1-(benzenesulfonyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92905547
1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone
CID 6540879
2-(4-methylphenyl)sulfonyl-3-propan-2-yl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 3628584
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
12-(benzenesulfonyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307720
(8aR,12aS,13aR)-12-(benzenesulfonyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 57113275
N-[[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzenesulfonamide
CID 7200732
2-[(1S)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 6930319
2-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
CID 2920708
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155511171

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
The IUPAC name of 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline (CID 3652033) is 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
The canonical SMILES for 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline is O=S(=O)(c1ccccc1)N1CC2c3ccccc3CCN2C1c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
The InChIKey is KMUAPPVLJUNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-28(27,20-12-5-2-6-13-20)25-17-22-21-14-8-7-9-18(21)15-16-24(22)23(25)19-10-3-1-4-11-19/h1-14,22-23H,15-17H2.
What are the key properties of 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline has a molecular weight of 390.51 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline is sourced from PubChem (CID 3652033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).