bis(5-amino-1-benzofuran-2-yl)methanone

C17H12N2O3 — CID 11098310

IUPACbis(5-amino-1-benzofuran-2-yl)methanone
SMILESNc1ccc2oc(C(=O)c3cc4cc(N)ccc4o3)cc2c1
InChIInChI=1S/C17H12N2O3/c18-11-1-3-13-9(5-11)7-15(21-13)17(20)16-8-10-6-12(19)2-4-14(10)22-16/h1-8H,18-19H2
InChIKeyUMBJVNBINWLZLH-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.57
Rot. Bonds2

About bis(5-amino-1-benzofuran-2-yl)methanone

bis(5-amino-1-benzofuran-2-yl)methanone (PubChem CID 11098310) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is bis(5-amino-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Namebis(5-amino-1-benzofuran-2-yl)methanone
PubChem CID11098310
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namebis(5-amino-1-benzofuran-2-yl)methanone
SMILESNc1ccc2oc(C(=O)c3cc4cc(N)ccc4o3)cc2c1
InChIInChI=1S/C17H12N2O3/c18-11-1-3-13-9(5-11)7-15(21-13)17(20)16-8-10-6-12(19)2-4-14(10)22-16/h1-8H,18-19H2
InChIKeyUMBJVNBINWLZLH-UHFFFAOYSA-N
XLogP3.57
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5-amino-1-benzofuran-2-yl)methanone?
The IUPAC name of bis(5-amino-1-benzofuran-2-yl)methanone (CID 11098310) is bis(5-amino-1-benzofuran-2-yl)methanone.
What is the SMILES notation for bis(5-amino-1-benzofuran-2-yl)methanone?
The canonical SMILES for bis(5-amino-1-benzofuran-2-yl)methanone is Nc1ccc2oc(C(=O)c3cc4cc(N)ccc4o3)cc2c1.
What is the InChIKey of bis(5-amino-1-benzofuran-2-yl)methanone?
The InChIKey is UMBJVNBINWLZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c18-11-1-3-13-9(5-11)7-15(21-13)17(20)16-8-10-6-12(19)2-4-14(10)22-16/h1-8H,18-19H2.
What are the key properties of bis(5-amino-1-benzofuran-2-yl)methanone?
bis(5-amino-1-benzofuran-2-yl)methanone has a molecular weight of 292.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-amino-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 11098310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).