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

C20H18N2O2 — CID 44579794

IUPAC4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H18N2O2/c23-19-14-5-1-2-6-15(14)20(24-19)11-9-13(10-12-20)18-21-16-7-3-4-8-17(16)22-18/h1-8,13H,9-12H2,(H,21,22)
InChIKeyDHVUMOGGIQFYED-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.29
Rot. Bonds1

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

4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 44579794) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID44579794
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESO=C1OC2(CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H18N2O2/c23-19-14-5-1-2-6-15(14)20(24-19)11-9-13(10-12-20)18-21-16-7-3-4-8-17(16)22-18/h1-8,13H,9-12H2,(H,21,22)
InChIKeyDHVUMOGGIQFYED-UHFFFAOYSA-N
XLogP4.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one (CID 44579794) is 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is O=C1OC2(CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is DHVUMOGGIQFYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-14-5-1-2-6-15(14)20(24-19)11-9-13(10-12-20)18-21-16-7-3-4-8-17(16)22-18/h1-8,13H,9-12H2,(H,21,22).
What are the key properties of 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one?
4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 318.38 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(1H-benzimidazol-2-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 44579794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).