3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one

C16H13N5O2 — CID 53065719

IUPAC3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(-c3noc(-c4ccncc4)n3)ccc21
InChIInChI=1S/C16H13N5O2/c1-2-21-13-4-3-11(9-12(13)18-16(21)22)14-19-15(23-20-14)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,18,22)
InChIKeyACYHRQLCYLSLLD-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.46
Rot. Bonds3

About 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one

3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one (PubChem CID 53065719) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
PubChem CID53065719
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(-c3noc(-c4ccncc4)n3)ccc21
InChIInChI=1S/C16H13N5O2/c1-2-21-13-4-3-11(9-12(13)18-16(21)22)14-19-15(23-20-14)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,18,22)
InChIKeyACYHRQLCYLSLLD-UHFFFAOYSA-N
XLogP2.46
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033621
6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033622
N-[4-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53065842
6-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propyl-1H-benzimidazol-2-one
CID 53065834
7-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065561
7-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-propyl-1H-quinoxaline-2,3-dione
CID 53065576
7-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-4-ethyl-1H-quinoxaline-2,3-dione
CID 53005944
6-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065761
3-ethyl-6-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065702
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53005998
3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065755
7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065581

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one (CID 53065719) is 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(-c3noc(-c4ccncc4)n3)ccc21.
What is the InChIKey of 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
The InChIKey is ACYHRQLCYLSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-2-21-13-4-3-11(9-12(13)18-16(21)22)14-19-15(23-20-14)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,18,22).
What are the key properties of 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one has a molecular weight of 307.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 53065719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).