3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

C20H16N6O — CID 154834412

IUPAC3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2cc(-c3nc(-c4cccc5[nH]c(C)nc45)no3)[nH]n2)cc1
InChIInChI=1S/C20H16N6O/c1-11-6-8-13(9-7-11)16-10-17(25-24-16)20-23-19(26-27-20)14-4-3-5-15-18(14)22-12(2)21-15/h3-10H,1-2H3,(H,21,22)(H,24,25)
InChIKeyJBUJTZFJYGVRDQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.29
Rot. Bonds3

About 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 154834412) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID154834412
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2cc(-c3nc(-c4cccc5[nH]c(C)nc45)no3)[nH]n2)cc1
InChIInChI=1S/C20H16N6O/c1-11-6-8-13(9-7-11)16-10-17(25-24-16)20-23-19(26-27-20)14-4-3-5-15-18(14)22-12(2)21-15/h3-10H,1-2H3,(H,21,22)(H,24,25)
InChIKeyJBUJTZFJYGVRDQ-UHFFFAOYSA-N
XLogP4.29
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 154834412) is 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is Cc1ccc(-c2cc(-c3nc(-c4cccc5[nH]c(C)nc45)no3)[nH]n2)cc1.
What is the InChIKey of 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is JBUJTZFJYGVRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-11-6-8-13(9-7-11)16-10-17(25-24-16)20-23-19(26-27-20)14-4-3-5-15-18(14)22-12(2)21-15/h3-10H,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 356.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-benzimidazol-4-yl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 154834412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).