3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole

C15H12N4OS — CID 53172688

IUPAC3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccsc1-c1nc(-c2ccc3ncn(C)c3c2)no1
InChIInChI=1S/C15H12N4OS/c1-9-5-6-21-13(9)15-17-14(18-20-15)10-3-4-11-12(7-10)19(2)8-16-11/h3-8H,1-2H3
InChIKeyLNJBVNCVYSPZLR-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.66
Rot. Bonds2

About 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole

3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 53172688) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID53172688
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccsc1-c1nc(-c2ccc3ncn(C)c3c2)no1
InChIInChI=1S/C15H12N4OS/c1-9-5-6-21-13(9)15-17-14(18-20-15)10-3-4-11-12(7-10)19(2)8-16-11/h3-8H,1-2H3
InChIKeyLNJBVNCVYSPZLR-UHFFFAOYSA-N
XLogP3.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole (CID 53172688) is 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole is Cc1ccsc1-c1nc(-c2ccc3ncn(C)c3c2)no1.
What is the InChIKey of 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is LNJBVNCVYSPZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-9-5-6-21-13(9)15-17-14(18-20-15)10-3-4-11-12(7-10)19(2)8-16-11/h3-8H,1-2H3.
What are the key properties of 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole?
3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 296.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbenzimidazol-5-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).