1-benzofuran-2-yl(benzotriazol-1-yl)methanone

C15H9N3O2 — CID 2365243

IUPAC1-benzofuran-2-yl(benzotriazol-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)n1nnc2ccccc21
InChIInChI=1S/C15H9N3O2/c19-15(14-9-10-5-1-4-8-13(10)20-14)18-12-7-3-2-6-11(12)16-17-18/h1-9H
InChIKeyMFBCYXSIFVXPAP-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.87
Rot. Bonds1

About 1-benzofuran-2-yl(benzotriazol-1-yl)methanone

1-benzofuran-2-yl(benzotriazol-1-yl)methanone (PubChem CID 2365243) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-benzofuran-2-yl(benzotriazol-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(benzotriazol-1-yl)methanone
PubChem CID2365243
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name1-benzofuran-2-yl(benzotriazol-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)n1nnc2ccccc21
InChIInChI=1S/C15H9N3O2/c19-15(14-9-10-5-1-4-8-13(10)20-14)18-12-7-3-2-6-11(12)16-17-18/h1-9H
InChIKeyMFBCYXSIFVXPAP-UHFFFAOYSA-N
XLogP2.87
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(benzotriazol-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(benzotriazol-1-yl)methanone (CID 2365243) is 1-benzofuran-2-yl(benzotriazol-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(benzotriazol-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(benzotriazol-1-yl)methanone is O=C(c1cc2ccccc2o1)n1nnc2ccccc21.
What is the InChIKey of 1-benzofuran-2-yl(benzotriazol-1-yl)methanone?
The InChIKey is MFBCYXSIFVXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c19-15(14-9-10-5-1-4-8-13(10)20-14)18-12-7-3-2-6-11(12)16-17-18/h1-9H.
What are the key properties of 1-benzofuran-2-yl(benzotriazol-1-yl)methanone?
1-benzofuran-2-yl(benzotriazol-1-yl)methanone has a molecular weight of 263.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(benzotriazol-1-yl)methanone is sourced from PubChem (CID 2365243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).