5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole

C22H26N2O5S — CID 71658978

IUPAC5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole
SMILESCCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2cccc(OC)c2OC)[nH]1
InChIInChI=1S/C22H26N2O5S/c1-7-30-22-23-18(13-11-16(26-3)21(29-6)17(12-13)27-4)19(24-22)14-9-8-10-15(25-2)20(14)28-5/h8-12H,7H2,1-6H3,(H,23,24)
InChIKeyBLEKNZZVEVOUET-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.90
Rot. Bonds9

About 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole

5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole (PubChem CID 71658978) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole
PubChem CID71658978
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole
SMILESCCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2cccc(OC)c2OC)[nH]1
InChIInChI=1S/C22H26N2O5S/c1-7-30-22-23-18(13-11-16(26-3)21(29-6)17(12-13)27-4)19(24-22)14-9-8-10-15(25-2)20(14)28-5/h8-12H,7H2,1-6H3,(H,23,24)
InChIKeyBLEKNZZVEVOUET-UHFFFAOYSA-N
XLogP4.90
TPSA74.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole (CID 71658978) is 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole is CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2cccc(OC)c2OC)[nH]1.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole?
The InChIKey is BLEKNZZVEVOUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-7-30-22-23-18(13-11-16(26-3)21(29-6)17(12-13)27-4)19(24-22)14-9-8-10-15(25-2)20(14)28-5/h8-12H,7H2,1-6H3,(H,23,24).
What are the key properties of 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole?
5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole has a molecular weight of 430.53 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-2-ethylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 71658978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).