2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone

C24H19N2O2+ — CID 73352346

IUPAC2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone
SMILESO=C(C[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H19N2O2/c27-23(18-8-2-1-3-9-18)16-26-17-25(21-11-5-6-12-22(21)26)15-20-14-19-10-4-7-13-24(19)28-20/h1-14,17H,15-16H2/q+1
InChIKeyLEBLCWKDNYNXFK-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.61
Rot. Bonds5

About 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone

2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone (PubChem CID 73352346) has the molecular formula C24H19N2O2+ and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone
PubChem CID73352346
Molecular FormulaC24H19N2O2+
Molecular Weight367.43 g/mol
Exact Mass367.14
IUPAC Name2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone
SMILESO=C(C[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H19N2O2/c27-23(18-8-2-1-3-9-18)16-26-17-25(21-11-5-6-12-22(21)26)15-20-14-19-10-4-7-13-24(19)28-20/h1-14,17H,15-16H2/q+1
InChIKeyLEBLCWKDNYNXFK-UHFFFAOYSA-N
XLogP4.61
TPSA39.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone?
The IUPAC name of 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone (CID 73352346) is 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone is O=C(C[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone?
The InChIKey is LEBLCWKDNYNXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2O2/c27-23(18-8-2-1-3-9-18)16-26-17-25(21-11-5-6-12-22(21)26)15-20-14-19-10-4-7-13-24(19)28-20/h1-14,17H,15-16H2/q+1.
What are the key properties of 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone?
2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone has a molecular weight of 367.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone is sourced from PubChem (CID 73352346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).