3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one

C16H14N4O2S — CID 53065755

IUPAC3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3noc(-c4cccs4)n3)ccc21
InChIInChI=1S/C16H14N4O2S/c1-9(2)20-12-6-5-10(8-11(12)17-16(20)21)14-18-15(22-19-14)13-4-3-7-23-13/h3-9H,1-2H3,(H,17,21)
InChIKeyHBYKWTPDSOFCOG-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.69
Rot. Bonds3

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

3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one (PubChem CID 53065755) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
PubChem CID53065755
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3noc(-c4cccs4)n3)ccc21
InChIInChI=1S/C16H14N4O2S/c1-9(2)20-12-6-5-10(8-11(12)17-16(20)21)14-18-15(22-19-14)13-4-3-7-23-13/h3-9H,1-2H3,(H,17,21)
InChIKeyHBYKWTPDSOFCOG-UHFFFAOYSA-N
XLogP3.69
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065761
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53005998
3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
CID 53065217
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065747
N-[4-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53065740
6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065745
N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 97043382
6-[5-[1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065739
3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065719
4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 53065731
7-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005967
7-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53065487

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one (CID 53065755) is 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(-c3noc(-c4cccs4)n3)ccc21.
What is the InChIKey of 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
The InChIKey is HBYKWTPDSOFCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9(2)20-12-6-5-10(8-11(12)17-16(20)21)14-18-15(22-19-14)13-4-3-7-23-13/h3-9H,1-2H3,(H,17,21).
What are the key properties of 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one?
3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one has a molecular weight of 326.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 53065755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).