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

C16H12N4O — CID 53378850

IUPAC2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12N4O/c1-2-4-11(5-3-1)8-15-19-20-16(21-15)12-6-7-13-14(9-12)18-10-17-13/h1-7,9-10H,8H2,(H,17,18)
InChIKeyFJFBGEKQEGWNTH-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.20
Rot. Bonds3

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

2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole (PubChem CID 53378850) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole
PubChem CID53378850
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12N4O/c1-2-4-11(5-3-1)8-15-19-20-16(21-15)12-6-7-13-14(9-12)18-10-17-13/h1-7,9-10H,8H2,(H,17,18)
InChIKeyFJFBGEKQEGWNTH-UHFFFAOYSA-N
XLogP3.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole (CID 53378850) is 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole is c1ccc(Cc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole?
The InChIKey is FJFBGEKQEGWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-4-11(5-3-1)8-15-19-20-16(21-15)12-6-7-13-14(9-12)18-10-17-13/h1-7,9-10H,8H2,(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole?
2-(3H-benzimidazol-5-yl)-5-benzyl-1,3,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 3.20, 3 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-benzyl-1,3,4-oxadiazole is sourced from PubChem (CID 53378850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).