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

C31H36N2 — CID 162706534

IUPAC(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
SMILESCc1ccccc1N1C(C2CCCCC2)N2C(c3ccccc3C2(C)c2ccccc2)[C@@H]1C
InChIInChI=1S/C31H36N2/c1-22-14-10-13-21-28(22)32-23(2)29-26-19-11-12-20-27(26)31(3,25-17-8-5-9-18-25)33(29)30(32)24-15-6-4-7-16-24/h5,8-14,17-21,23-24,29-30H,4,6-7,15-16H2,1-3H3/t23-,29?,30?,31?/m0/s1
InChIKeyRPLVIMPOWJWXOT-OQQKABBSSA-N
MW436.64 g/mol
LogP7.43
Rot. Bonds3

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

(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole (PubChem CID 162706534) has the molecular formula C31H36N2 and a molecular weight of 436.64 g/mol. Its IUPAC name is (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
PubChem CID162706534
Molecular FormulaC31H36N2
Molecular Weight436.64 g/mol
Exact Mass436.29
IUPAC Name(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
SMILESCc1ccccc1N1C(C2CCCCC2)N2C(c3ccccc3C2(C)c2ccccc2)[C@@H]1C
InChIInChI=1S/C31H36N2/c1-22-14-10-13-21-28(22)32-23(2)29-26-19-11-12-20-27(26)31(3,25-17-8-5-9-18-25)33(29)30(32)24-15-6-4-7-16-24/h5,8-14,17-21,23-24,29-30H,4,6-7,15-16H2,1-3H3/t23-,29?,30?,31?/m0/s1
InChIKeyRPLVIMPOWJWXOT-OQQKABBSSA-N
XLogP7.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-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

(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
(1S)-3-tert-butyl-5-cyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706662
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706306
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706264
(1S)-1-methyl-2-(2-methylphenyl)-5,5-diphenyl-3-(trideuteriomethyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706703
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(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
(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(1S)-3-tert-butyl-5-cyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706326
(1S)-5,5-dicyclopentyl-3-deuterio-1-methyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706362

Frequently Asked Questions

What is the IUPAC name of (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The IUPAC name of (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole (CID 162706534) is (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole.
What is the SMILES notation for (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The canonical SMILES for (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole is Cc1ccccc1N1C(C2CCCCC2)N2C(c3ccccc3C2(C)c2ccccc2)[C@@H]1C.
What is the InChIKey of (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The InChIKey is RPLVIMPOWJWXOT-OQQKABBSSA-N. The full InChI is InChI=1S/C31H36N2/c1-22-14-10-13-21-28(22)32-23(2)29-26-19-11-12-20-27(26)31(3,25-17-8-5-9-18-25)33(29)30(32)24-15-6-4-7-16-24/h5,8-14,17-21,23-24,29-30H,4,6-7,15-16H2,1-3H3/t23-,29?,30?,31?/m0/s1.
What are the key properties of (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole has a molecular weight of 436.64 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 162706534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).