2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole

C25H18N6O — CID 52936885

IUPAC2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(Cn3cnc4ccccc43)o2)cc1
InChIInChI=1S/C25H18N6O/c1-3-9-18(10-4-1)24-20(15-31(29-24)19-11-5-2-6-12-19)25-28-27-23(32-25)16-30-17-26-21-13-7-8-14-22(21)30/h1-15,17H,16H2
InChIKeyRDYZDVACGLXLBY-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.99
Rot. Bonds5

About 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole

2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole (PubChem CID 52936885) has the molecular formula C25H18N6O and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
PubChem CID52936885
Molecular FormulaC25H18N6O
Molecular Weight418.46 g/mol
Exact Mass418.15
IUPAC Name2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(Cn3cnc4ccccc43)o2)cc1
InChIInChI=1S/C25H18N6O/c1-3-9-18(10-4-1)24-20(15-31(29-24)19-11-5-2-6-12-19)25-28-27-23(32-25)16-30-17-26-21-13-7-8-14-22(21)30/h1-15,17H,16H2
InChIKeyRDYZDVACGLXLBY-UHFFFAOYSA-N
XLogP4.99
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole (CID 52936885) is 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole is c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(Cn3cnc4ccccc43)o2)cc1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is RDYZDVACGLXLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O/c1-3-9-18(10-4-1)24-20(15-31(29-24)19-11-5-2-6-12-19)25-28-27-23(32-25)16-30-17-26-21-13-7-8-14-22(21)30/h1-15,17H,16H2.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole?
2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 418.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 52936885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).