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

C13H14N4O2 — CID 71877637

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one
SMILESCCc1nc(Cn2c(=O)n(C)c3ccccc32)no1
InChIInChI=1S/C13H14N4O2/c1-3-12-14-11(15-19-12)8-17-10-7-5-4-6-9(10)16(2)13(17)18/h4-7H,3,8H2,1-2H3
InChIKeyGWNGBEFGDUWDRD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.33
Rot. Bonds3

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

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 71877637) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one
PubChem CID71877637
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one
SMILESCCc1nc(Cn2c(=O)n(C)c3ccccc32)no1
InChIInChI=1S/C13H14N4O2/c1-3-12-14-11(15-19-12)8-17-10-7-5-4-6-9(10)16(2)13(17)18/h4-7H,3,8H2,1-2H3
InChIKeyGWNGBEFGDUWDRD-UHFFFAOYSA-N
XLogP1.33
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one (CID 71877637) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one is CCc1nc(Cn2c(=O)n(C)c3ccccc32)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is GWNGBEFGDUWDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-12-14-11(15-19-12)8-17-10-7-5-4-6-9(10)16(2)13(17)18/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 71877637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).