3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole

C11H10N4O — CID 16820544

IUPAC3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C11H10N4O/c1-8-13-11(14-16-8)6-15-7-12-9-4-2-3-5-10(9)15/h2-5,7H,6H2,1H3
InChIKeyORMDWSFGGHNKCK-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.78
Rot. Bonds2

About 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole

3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 16820544) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole
PubChem CID16820544
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2cnc3ccccc32)no1
InChIInChI=1S/C11H10N4O/c1-8-13-11(14-16-8)6-15-7-12-9-4-2-3-5-10(9)15/h2-5,7H,6H2,1H3
InChIKeyORMDWSFGGHNKCK-UHFFFAOYSA-N
XLogP1.78
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole (CID 16820544) is 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole is Cc1nc(Cn2cnc3ccccc32)no1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is ORMDWSFGGHNKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8-13-11(14-16-8)6-15-7-12-9-4-2-3-5-10(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole?
3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 214.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 16820544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).