(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline

C24H24N2O3S — CID 92699000

IUPAC(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
SMILESCOc1ccc([C@@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-29-20-13-11-19(12-14-20)24-25-16-15-18-7-5-6-10-22(18)23(25)17-26(24)30(27,28)21-8-3-2-4-9-21/h2-14,23-24H,15-17H2,1H3/t23-,24+/m0/s1
InChIKeyIHKZIFZJBIPCDM-BJKOFHAPSA-N
MW420.53 g/mol
LogP4.00
Rot. Bonds4

About (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline

(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline (PubChem CID 92699000) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
PubChem CID92699000
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
SMILESCOc1ccc([C@@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-29-20-13-11-19(12-14-20)24-25-16-15-18-7-5-6-10-22(18)23(25)17-26(24)30(27,28)21-8-3-2-4-9-21/h2-14,23-24H,15-17H2,1H3/t23-,24+/m0/s1
InChIKeyIHKZIFZJBIPCDM-BJKOFHAPSA-N
XLogP4.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 3652033
2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 101487948
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
(11bR)-2-(4-methoxyphenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51709753
12-(4-methoxyphenyl)sulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307723
(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
2-(4-methylphenyl)sulfonyl-3-propan-2-yl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 3628584
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
[(1R)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl] carbamate
CID 69440491
1-[(3R,10bR)-3-phenyl-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinolin-2-yl]ethanone
CID 6540879

Frequently Asked Questions

What is the IUPAC name of (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
The IUPAC name of (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline (CID 92699000) is (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline.
What is the SMILES notation for (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
The canonical SMILES for (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline is COc1ccc([C@@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
The InChIKey is IHKZIFZJBIPCDM-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-29-20-13-11-19(12-14-20)24-25-16-15-18-7-5-6-10-22(18)23(25)17-26(24)30(27,28)21-8-3-2-4-9-21/h2-14,23-24H,15-17H2,1H3/t23-,24+/m0/s1.
What are the key properties of (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline?
(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline has a molecular weight of 420.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline is sourced from PubChem (CID 92699000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).