(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole

C27H30N2 — CID 162705992

IUPAC(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
SMILES[2H]C1(C)c2ccccc2C2[C@H](C)N(c3ccccc3C)C(c3c(C)cccc3C)N21
InChIInChI=1S/C27H30N2/c1-17-11-6-9-16-24(17)28-21(5)26-23-15-8-7-14-22(23)20(4)29(26)27(28)25-18(2)12-10-13-19(25)3/h6-16,20-21,26-27H,1-5H3/t20?,21-,26?,27?/m0/s1/i20D
InChIKeyLRSRRARTZFYWSN-OHYZRAORSA-N
MW383.56 g/mol
LogP6.64
Rot. Bonds2

About (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole

(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole (PubChem CID 162705992) has the molecular formula C27H30N2 and a molecular weight of 383.56 g/mol. Its IUPAC name is (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
PubChem CID162705992
Molecular FormulaC27H30N2
Molecular Weight383.56 g/mol
Exact Mass383.25
IUPAC Name(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
SMILES[2H]C1(C)c2ccccc2C2[C@H](C)N(c3ccccc3C)C(c3c(C)cccc3C)N21
InChIInChI=1S/C27H30N2/c1-17-11-6-9-16-24(17)28-21(5)26-23-15-8-7-14-22(23)20(4)29(26)27(28)25-18(2)12-10-13-19(25)3/h6-16,20-21,26-27H,1-5H3/t20?,21-,26?,27?/m0/s1/i20D
InChIKeyLRSRRARTZFYWSN-OHYZRAORSA-N
XLogP6.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole 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

(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(3S)-4-cyclohexyl-4-cyclopentyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162705977
(5S)-5-methyl-1-(2-methylphenyl)-3,4-diphenyl-2-(trideuteriomethyl)imidazolidine
CID 162706060
(1S)-1-methyl-2-(2-methylphenyl)-5,5-diphenyl-3-(trideuteriomethyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706703
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706596
6,7,11-trimethyl-7,11b-dihydro-6H-isoquinolino[2,1-a]quinoline
CID 167045768
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
(3S)-3-methyl-2-(2-methylphenyl)-1-phenyl-3,3a-dihydro-1H-imidazo[5,1-b][1,3]benzoxazole
CID 166958977
(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706534
(2R)-1-hydroxy-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 138656618

Frequently Asked Questions

What is the IUPAC name of (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The IUPAC name of (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole (CID 162705992) is (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole.
What is the SMILES notation for (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The canonical SMILES for (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole is [2H]C1(C)c2ccccc2C2[C@H](C)N(c3ccccc3C)C(c3c(C)cccc3C)N21.
What is the InChIKey of (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The InChIKey is LRSRRARTZFYWSN-OHYZRAORSA-N. The full InChI is InChI=1S/C27H30N2/c1-17-11-6-9-16-24(17)28-21(5)26-23-15-8-7-14-22(23)20(4)29(26)27(28)25-18(2)12-10-13-19(25)3/h6-16,20-21,26-27H,1-5H3/t20?,21-,26?,27?/m0/s1/i20D.
What are the key properties of (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole has a molecular weight of 383.56 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 162705992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).