5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione

C24H27N3O2S — CID 123457897

IUPAC5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione
SMILESCCc1cc(-c2c(CC)[nH]c(=S)n2-c2ccc3c(c2)c(CC)cn3C)c(O)cc1O
InChIInChI=1S/C24H27N3O2S/c1-5-14-10-18(22(29)12-21(14)28)23-19(7-3)25-24(30)27(23)16-8-9-20-17(11-16)15(6-2)13-26(20)4/h8-13,28-29H,5-7H2,1-4H3,(H,25,30)
InChIKeyISQWWCGNMIQAAM-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.79
Rot. Bonds5

About 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione

5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione (PubChem CID 123457897) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione
PubChem CID123457897
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione
SMILESCCc1cc(-c2c(CC)[nH]c(=S)n2-c2ccc3c(c2)c(CC)cn3C)c(O)cc1O
InChIInChI=1S/C24H27N3O2S/c1-5-14-10-18(22(29)12-21(14)28)23-19(7-3)25-24(30)27(23)16-8-9-20-17(11-16)15(6-2)13-26(20)4/h8-13,28-29H,5-7H2,1-4H3,(H,25,30)
InChIKeyISQWWCGNMIQAAM-UHFFFAOYSA-N
XLogP5.79
TPSA66.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(1-methylindol-5-yl)-1H-imidazole-2-thione
CID 123604031
3-(2,3-dimethyl-1-propylindol-5-yl)-5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-1H-imidazole-2-thione
CID 123285399
disodium;3-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-ethyl-1-methylindol-5-yl)-1H-1,2,4-triazole-5-thione;hydride
CID 173095749
4-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-ethyl-3-(1H-indol-5-yl)-1H-imidazole-2-thione
CID 123454701
3-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 136620876
5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole
CID 143764276
3-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-(2-methylhydrazinyl)phenyl]-1H-1,2,4-triazole-5-thione
CID 136603572
3-(3-ethylbenzimidazol-5-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)-1H-imidazole-2-thione
CID 143412206
[4-[4-(1,3-dimethylindol-5-yl)-5-oxo-1H-1,2,4-triazol-3-yl]-2-ethyl-5-hydroxyphenyl] dihydrogen phosphate
CID 135949567
3-(5-ethyl-2,4-dihydroxyphenyl)-4-[4-methoxy-3-(methylamino)phenyl]-1H-1,2,4-triazole-5-thione
CID 143589154
ethane;(3-ethyl-1-methylindol-5-yl)-pentafluoro-λ6-sulfane
CID 144820379
4-(5-ethyl-2-hydroxy-4-nitrosophenyl)-3-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-1H-imidazole-2-thione
CID 143412211

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione?
The IUPAC name of 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione (CID 123457897) is 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione?
The canonical SMILES for 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione is CCc1cc(-c2c(CC)[nH]c(=S)n2-c2ccc3c(c2)c(CC)cn3C)c(O)cc1O.
What is the InChIKey of 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione?
The InChIKey is ISQWWCGNMIQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-5-14-10-18(22(29)12-21(14)28)23-19(7-3)25-24(30)27(23)16-8-9-20-17(11-16)15(6-2)13-26(20)4/h8-13,28-29H,5-7H2,1-4H3,(H,25,30).
What are the key properties of 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione?
5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione has a molecular weight of 421.57 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(5-ethyl-2,4-dihydroxyphenyl)-3-(3-ethyl-1-methylindol-5-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 123457897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).