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

C15H12N4OS — CID 53172661

IUPAC3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21
InChIInChI=1S/C15H12N4OS/c1-19-9-16-12-5-4-10(7-13(12)19)15-17-14(20-18-15)8-11-3-2-6-21-11/h2-7,9H,8H2,1H3
InChIKeyYNFGJKANHADFKR-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.28
Rot. Bonds3

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

3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 53172661) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID53172661
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21
InChIInChI=1S/C15H12N4OS/c1-19-9-16-12-5-4-10(7-13(12)19)15-17-14(20-18-15)8-11-3-2-6-21-11/h2-7,9H,8H2,1H3
InChIKeyYNFGJKANHADFKR-UHFFFAOYSA-N
XLogP3.28
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.28
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-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 53172661) is 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is Cn1cnc2ccc(-c3noc(Cc4cccs4)n3)cc21.
What is the InChIKey of 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is YNFGJKANHADFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-19-9-16-12-5-4-10(7-13(12)19)15-17-14(20-18-15)8-11-3-2-6-21-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
3-(3-methylbenzimidazol-5-yl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 296.36 g/mol, XLogP of 3.28, 3 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-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).