3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C18H11F5N4O2 — CID 59214344

IUPAC3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)COc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1C(F)(F)F
InChIInChI=1S/C18H11F5N4O2/c19-15(20)7-28-14-4-2-10(5-11(14)18(21,22)23)17-26-16(27-29-17)9-1-3-12-13(6-9)25-8-24-12/h1-6,8,15H,7H2,(H,24,25)
InChIKeyDHXIROTZSOBFBJ-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.94
Rot. Bonds5

About 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 59214344) has the molecular formula C18H11F5N4O2 and a molecular weight of 410.30 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID59214344
Molecular FormulaC18H11F5N4O2
Molecular Weight410.30 g/mol
Exact Mass410.08
IUPAC Name3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)COc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1C(F)(F)F
InChIInChI=1S/C18H11F5N4O2/c19-15(20)7-28-14-4-2-10(5-11(14)18(21,22)23)17-26-16(27-29-17)9-1-3-12-13(6-9)25-8-24-12/h1-6,8,15H,7H2,(H,24,25)
InChIKeyDHXIROTZSOBFBJ-UHFFFAOYSA-N
XLogP4.94
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3H-benzimidazol-5-yl)-5-[4-(fluoromethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;fluoroform
CID 162079065
3-(3H-benzimidazol-5-yl)-5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214167
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzonitrile;hydrochloride
CID 162340598
3-(2-ethoxy-3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole
CID 59214359
6-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-amine
CID 59214236
3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 122180505
5-[3,5-bis[3-[4-hexoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-3-[4-hexoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59260161
5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 175923429
2-methanimidoyl-5-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 143554751
3-(4-methyl-1H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 162330110
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
3-(3-chloro-1H-indol-5-yl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 141211738

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 59214344) is 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)COc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1C(F)(F)F.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is DHXIROTZSOBFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4O2/c19-15(20)7-28-14-4-2-10(5-11(14)18(21,22)23)17-26-16(27-29-17)9-1-3-12-13(6-9)25-8-24-12/h1-6,8,15H,7H2,(H,24,25).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 410.30 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59214344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).