4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

C17H15N5O2 — CID 86781728

IUPAC4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESCc1nc2ccccc2n1CCn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C17H15N5O2/c1-12-19-13-6-2-3-8-15(13)21(12)10-11-22-16(20-24-17(22)23)14-7-4-5-9-18-14/h2-9H,10-11H2,1H3
InChIKeyRIILTICYLOQFFF-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.26
Rot. Bonds4

About 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 86781728) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID86781728
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESCc1nc2ccccc2n1CCn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C17H15N5O2/c1-12-19-13-6-2-3-8-15(13)21(12)10-11-22-16(20-24-17(22)23)14-7-4-5-9-18-14/h2-9H,10-11H2,1H3
InChIKeyRIILTICYLOQFFF-UHFFFAOYSA-N
XLogP2.26
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (CID 86781728) is 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is Cc1nc2ccccc2n1CCn1c(-c2ccccn2)noc1=O.
What is the InChIKey of 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is RIILTICYLOQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-12-19-13-6-2-3-8-15(13)21(12)10-11-22-16(20-24-17(22)23)14-7-4-5-9-18-14/h2-9H,10-11H2,1H3.
What are the key properties of 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 321.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 86781728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).