(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole

C26H32N2O — CID 176822731

IUPAC(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole
SMILESCc1ccc2c(oc3ccc4c(c32)C(C)(C)CCC4(C)C)c1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C26H32N2O/c1-16-8-9-18-21-20(29-24(18)23(16)28-15-14-27(7)17(28)2)11-10-19-22(21)26(5,6)13-12-25(19,3)4/h8-11,14-15,17H,12-13H2,1-7H3/t17-/m0/s1
InChIKeyRHVLJRRVEHPTQL-KRWDZBQOSA-N
MW388.56 g/mol
LogP6.81
Rot. Bonds1

About (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole

(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole (PubChem CID 176822731) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole
PubChem CID176822731
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole
SMILESCc1ccc2c(oc3ccc4c(c32)C(C)(C)CCC4(C)C)c1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C26H32N2O/c1-16-8-9-18-21-20(29-24(18)23(16)28-15-14-27(7)17(28)2)11-10-19-22(21)26(5,6)13-12-25(19,3)4/h8-11,14-15,17H,12-13H2,1-7H3/t17-/m0/s1
InChIKeyRHVLJRRVEHPTQL-KRWDZBQOSA-N
XLogP6.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole 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

1-(3,6-dimethyldibenzofuran-4-yl)-2,3-dimethyl-2H-imidazole
CID 130343444
5-tert-butyl-1-methyl-2-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
CID 176822713
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
4-(cyclohexylmethyl)-1-methyl-2-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
CID 176822891
1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
CID 171579490
8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 165060179
(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole
CID 140940635
3,3,6,6,14-pentamethyl-13-(1-methylpyridin-1-ium-2-yl)-11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaene
CID 176822545
bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole);(2S)-3-(2,6-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2R)-3-(3,5-dimethylphenyl)-2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 158387284
2-(1,1,4,4,7,9-hexamethyl-2,3-dihydronaphtho[1,2-b][1]benzofuran-10-yl)-1-methylpyrazin-1-ium
CID 176823009
(2S)-1,2-dimethyl-3-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-2H-imidazole;6-(2,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-1-methylpyridazin-1-ium;2-methyl-1-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyrazol-2-ium;1-methyl-6-[3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran-4-yl]pyridazin-1-ium
CID 159148858
6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
CID 118083730

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole?
The IUPAC name of (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole (CID 176822731) is (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole?
The canonical SMILES for (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole is Cc1ccc2c(oc3ccc4c(c32)C(C)(C)CCC4(C)C)c1N1C=CN(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole?
The InChIKey is RHVLJRRVEHPTQL-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H32N2O/c1-16-8-9-18-21-20(29-24(18)23(16)28-15-14-27(7)17(28)2)11-10-19-22(21)26(5,6)13-12-25(19,3)4/h8-11,14-15,17H,12-13H2,1-7H3/t17-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole?
(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole has a molecular weight of 388.56 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole is sourced from PubChem (CID 176822731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).