5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole

C18H16N4O2S — CID 16595185

IUPAC5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(CSc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H16N4O2S/c1-2-23-15-10-6-3-7-12(15)17-21-16(24-22-17)11-25-18-19-13-8-4-5-9-14(13)20-18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyCCUVMLUTSVQZCB-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.30
Rot. Bonds6

About 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole

5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 16595185) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
PubChem CID16595185
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(CSc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H16N4O2S/c1-2-23-15-10-6-3-7-12(15)17-21-16(24-22-17)11-25-18-19-13-8-4-5-9-14(13)20-18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyCCUVMLUTSVQZCB-UHFFFAOYSA-N
XLogP4.30
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole 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

2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-benzoxazole
CID 18135962
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 30469751
3-(2-ethoxyphenyl)-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24597012
3-(2-ethoxyphenyl)-5-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24601265
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9430026
4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2,6-dimethylpyrimidine-5-carbonitrile
CID 24631102
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 16591064
3-(2-ethoxyphenyl)-5-[[4-(4-ethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 23605887
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 30926882
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole (CID 16595185) is 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole is CCOc1ccccc1-c1noc(CSc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CCUVMLUTSVQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-2-23-15-10-6-3-7-12(15)17-21-16(24-22-17)11-25-18-19-13-8-4-5-9-14(13)20-18/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole?
5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 352.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 16595185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).