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

C18H13F3N4O — CID 58433259

IUPAC2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)13-5-1-11(2-6-13)3-8-16-24-25-17(26-16)12-4-7-14-15(9-12)23-10-22-14/h1-2,4-7,9-10H,3,8H2,(H,22,23)
InChIKeyBOHJCIUHLYRUMM-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.42
Rot. Bonds4

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

2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 58433259) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID58433259
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)13-5-1-11(2-6-13)3-8-16-24-25-17(26-16)12-4-7-14-15(9-12)23-10-22-14/h1-2,4-7,9-10H,3,8H2,(H,22,23)
InChIKeyBOHJCIUHLYRUMM-UHFFFAOYSA-N
XLogP4.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (CID 58433259) is 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is BOHJCIUHLYRUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)13-5-1-11(2-6-13)3-8-16-24-25-17(26-16)12-4-7-14-15(9-12)23-10-22-14/h1-2,4-7,9-10H,3,8H2,(H,22,23).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 358.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58433259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).