4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one

C23H20N4O3 — CID 25067562

IUPAC4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESCc1nnc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)o1
InChIInChI=1S/C23H20N4O3/c1-13-26-27-21(29-13)15-6-7-18-19(12-15)25-20(24-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)30-23/h2-7,12,14H,8-11H2,1H3,(H,24,25)
InChIKeyPZBREWORDFEWJT-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.64
Rot. Bonds2

About 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one

4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 25067562) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID25067562
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESCc1nnc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)o1
InChIInChI=1S/C23H20N4O3/c1-13-26-27-21(29-13)15-6-7-18-19(12-15)25-20(24-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)30-23/h2-7,12,14H,8-11H2,1H3,(H,24,25)
InChIKeyPZBREWORDFEWJT-UHFFFAOYSA-N
XLogP4.64
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one (CID 25067562) is 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one is Cc1nnc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)o1.
What is the InChIKey of 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is PZBREWORDFEWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-13-26-27-21(29-13)15-6-7-18-19(12-15)25-20(24-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)30-23/h2-7,12,14H,8-11H2,1H3,(H,24,25).
What are the key properties of 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 400.44 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 25067562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).