5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole

C10H8N4O — CID 94069320

IUPAC5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C10H8N4O/c1-6-13-10(15-14-6)7-2-3-8-9(4-7)12-5-11-8/h2-5H,1H3,(H,11,12)
InChIKeyDSVBVOVBZOWMRD-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.92
Rot. Bonds1

About 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole

5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 94069320) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID94069320
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C10H8N4O/c1-6-13-10(15-14-6)7-2-3-8-9(4-7)12-5-11-8/h2-5H,1H3,(H,11,12)
InChIKeyDSVBVOVBZOWMRD-UHFFFAOYSA-N
XLogP1.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
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2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
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CID 166213858
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzonitrile;hydrochloride
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3-(3H-benzimidazol-5-yl)-5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214167
5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 95215992
3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214344
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
CID 46829675

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole (CID 94069320) is 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is DSVBVOVBZOWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-13-10(15-14-6)7-2-3-8-9(4-7)12-5-11-8/h2-5H,1H3,(H,11,12).
What are the key properties of 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole?
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 200.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 94069320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).