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

C19H17N7O — CID 175923429

IUPAC5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)n1nnc2cc(-c3noc(-c4ccc5nc[nH]c5c4)n3)ccc21
InChIInChI=1S/C19H17N7O/c1-19(2,3)26-16-7-5-11(8-15(16)23-25-26)17-22-18(27-24-17)12-4-6-13-14(9-12)21-10-20-13/h4-10H,1-3H3,(H,20,21)
InChIKeyNDUOROPRDXZIRU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.78
Rot. Bonds2

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

5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole (PubChem CID 175923429) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
PubChem CID175923429
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)n1nnc2cc(-c3noc(-c4ccc5nc[nH]c5c4)n3)ccc21
InChIInChI=1S/C19H17N7O/c1-19(2,3)26-16-7-5-11(8-15(16)23-25-26)17-22-18(27-24-17)12-4-6-13-14(9-12)21-10-20-13/h4-10H,1-3H3,(H,20,21)
InChIKeyNDUOROPRDXZIRU-UHFFFAOYSA-N
XLogP3.78
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 122180505
3-(3H-benzimidazol-5-yl)-5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214167
3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214344
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzonitrile;hydrochloride
CID 162340598
3-(3H-benzimidazol-5-yl)-5-[4-(fluoromethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;fluoroform
CID 162079065
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
[5-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]benzotriazol-1-yl]methanetriol
CID 170026869
2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide
CID 56905612
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)benzonitrile
CID 46829675
2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
CID 143620068

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole (CID 175923429) is 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole is CC(C)(C)n1nnc2cc(-c3noc(-c4ccc5nc[nH]c5c4)n3)ccc21.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is NDUOROPRDXZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-19(2,3)26-16-7-5-11(8-15(16)23-25-26)17-22-18(27-24-17)12-4-6-13-14(9-12)21-10-20-13/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole?
5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 359.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 175923429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).