3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C19H18N4O4S — CID 9430026

IUPAC3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc2nc(SCc3nc(-c4c(OC)cccc4OC)no3)[nH]c2c1
InChIInChI=1S/C19H18N4O4S/c1-24-11-7-8-12-13(9-11)21-19(20-12)28-10-16-22-18(23-27-16)17-14(25-2)5-4-6-15(17)26-3/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyGZZYTKDMFKYWNZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.93
Rot. Bonds7

About 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 9430026) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID9430026
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1ccc2nc(SCc3nc(-c4c(OC)cccc4OC)no3)[nH]c2c1
InChIInChI=1S/C19H18N4O4S/c1-24-11-7-8-12-13(9-11)21-19(20-12)28-10-16-22-18(23-27-16)17-14(25-2)5-4-6-15(17)26-3/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyGZZYTKDMFKYWNZ-UHFFFAOYSA-N
XLogP3.93
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 18099720
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 16595185
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
6-methoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole
CID 2650606
6-methoxy-2-(oxiran-2-ylmethylsulfanyl)-1H-benzimidazole
CID 43187883
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 104514315
5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10020896
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 9430026) is 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is COc1ccc2nc(SCc3nc(-c4c(OC)cccc4OC)no3)[nH]c2c1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is GZZYTKDMFKYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-24-11-7-8-12-13(9-11)21-19(20-12)28-10-16-22-18(23-27-16)17-14(25-2)5-4-6-15(17)26-3/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 398.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 9430026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).