4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one

C16H12N4O3 — CID 138028899

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(-c2noc(-c3cccc4[nH]c(=O)[nH]c34)n2)cc1
InChIInChI=1S/C16H12N4O3/c1-22-10-7-5-9(6-8-10)14-19-15(23-20-14)11-3-2-4-12-13(11)18-16(21)17-12/h2-8H,1H3,(H2,17,18,21)
InChIKeySIBJLISQWDSFEP-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.58
Rot. Bonds3

About 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 138028899) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID138028899
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(-c2noc(-c3cccc4[nH]c(=O)[nH]c34)n2)cc1
InChIInChI=1S/C16H12N4O3/c1-22-10-7-5-9(6-8-10)14-19-15(23-20-14)11-3-2-4-12-13(11)18-16(21)17-12/h2-8H,1H3,(H2,17,18,21)
InChIKeySIBJLISQWDSFEP-UHFFFAOYSA-N
XLogP2.58
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one (CID 138028899) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one is COc1ccc(-c2noc(-c3cccc4[nH]c(=O)[nH]c34)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SIBJLISQWDSFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-22-10-7-5-9(6-8-10)14-19-15(23-20-14)11-3-2-4-12-13(11)18-16(21)17-12/h2-8H,1H3,(H2,17,18,21).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 308.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 138028899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).