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

C26H34N2 — CID 162706481

IUPAC(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
SMILESCc1ccccc1N1C(C2CCCCC2)N2C(c3ccccc3C2(C)C)[C@@H]1C
InChIInChI=1S/C26H34N2/c1-18-12-8-11-17-23(18)27-19(2)24-21-15-9-10-16-22(21)26(3,4)28(24)25(27)20-13-6-5-7-14-20/h8-12,15-17,19-20,24-25H,5-7,13-14H2,1-4H3/t19-,24?,25?/m0/s1
InChIKeyINXPRAFFHKGDFL-CCYWVKEMSA-N
MW374.57 g/mol
LogP6.40
Rot. Bonds2

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

(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole (PubChem CID 162706481) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
PubChem CID162706481
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
SMILESCc1ccccc1N1C(C2CCCCC2)N2C(c3ccccc3C2(C)C)[C@@H]1C
InChIInChI=1S/C26H34N2/c1-18-12-8-11-17-23(18)27-19(2)24-21-15-9-10-16-22(21)26(3,4)28(24)25(27)20-13-6-5-7-14-20/h8-12,15-17,19-20,24-25H,5-7,13-14H2,1-4H3/t19-,24?,25?/m0/s1
InChIKeyINXPRAFFHKGDFL-CCYWVKEMSA-N
XLogP6.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706534
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706306
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706264
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(1S)-3-tert-butyl-5-cyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706662
(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
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(1S)-5,5-dicyclopentyl-3-deuterio-1-methyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706362
(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
CID 162706377

Frequently Asked Questions

What is the IUPAC name of (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The IUPAC name of (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole (CID 162706481) is (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole.
What is the SMILES notation for (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The canonical SMILES for (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole is Cc1ccccc1N1C(C2CCCCC2)N2C(c3ccccc3C2(C)C)[C@@H]1C.
What is the InChIKey of (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
The InChIKey is INXPRAFFHKGDFL-CCYWVKEMSA-N. The full InChI is InChI=1S/C26H34N2/c1-18-12-8-11-17-23(18)27-19(2)24-21-15-9-10-16-22(21)26(3,4)28(24)25(27)20-13-6-5-7-14-20/h8-12,15-17,19-20,24-25H,5-7,13-14H2,1-4H3/t19-,24?,25?/m0/s1.
What are the key properties of (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole?
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole has a molecular weight of 374.57 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 162706481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).