5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C18H16N4OS2 — CID 55592389

IUPAC5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC=CCn1c(SC(C)c2nc(-c3cccs3)no2)nc2ccccc21
InChIInChI=1S/C18H16N4OS2/c1-3-10-22-14-8-5-4-7-13(14)19-18(22)25-12(2)17-20-16(21-23-17)15-9-6-11-24-15/h3-9,11-12H,1,10H2,2H3
InChIKeyOMFYQTOYWWQQLV-UHFFFAOYSA-N
MW368.49 g/mol
LogP5.19
Rot. Bonds6

About 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 55592389) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID55592389
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC=CCn1c(SC(C)c2nc(-c3cccs3)no2)nc2ccccc21
InChIInChI=1S/C18H16N4OS2/c1-3-10-22-14-8-5-4-7-13(14)19-18(22)25-12(2)17-20-16(21-23-17)15-9-6-11-24-15/h3-9,11-12H,1,10H2,2H3
InChIKeyOMFYQTOYWWQQLV-UHFFFAOYSA-N
XLogP5.19
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 43031924
5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 25330962
5-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259633
6-bromo-3-ethyl-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55589888
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanenitrile
CID 84603803
5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 134005593
5-[1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259609
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one
CID 60546893
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
5-[(1S)-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33291063
5-[(1S)-1-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33294044

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 55592389) is 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is C=CCn1c(SC(C)c2nc(-c3cccs3)no2)nc2ccccc21.
What is the InChIKey of 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is OMFYQTOYWWQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-3-10-22-14-8-5-4-7-13(14)19-18(22)25-12(2)17-20-16(21-23-17)15-9-6-11-24-15/h3-9,11-12H,1,10H2,2H3.
What are the key properties of 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 368.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55592389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).