2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide

C16H14N4O — CID 25139354

IUPAC2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cc3ccc(/C(N)=N/[H])cc3o2)c1
InChIInChI=1S/C16H14N4O/c17-15(18)11-3-1-2-9(6-11)13-7-10-4-5-12(16(19)20)8-14(10)21-13/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyZZPJPUVMRJRWRH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.67
Rot. Bonds3

About 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide

2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide (PubChem CID 25139354) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide
PubChem CID25139354
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cc3ccc(/C(N)=N/[H])cc3o2)c1
InChIInChI=1S/C16H14N4O/c17-15(18)11-3-1-2-9(6-11)13-7-10-4-5-12(16(19)20)8-14(10)21-13/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyZZPJPUVMRJRWRH-UHFFFAOYSA-N
XLogP2.67
TPSA112.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide?
The IUPAC name of 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide (CID 25139354) is 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide.
What is the SMILES notation for 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide?
The canonical SMILES for 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide is [H]/N=C(\N)c1cccc(-c2cc3ccc(/C(N)=N/[H])cc3o2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide?
The InChIKey is ZZPJPUVMRJRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-15(18)11-3-1-2-9(6-11)13-7-10-4-5-12(16(19)20)8-14(10)21-13/h1-8H,(H3,17,18)(H3,19,20).
What are the key properties of 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide?
2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide has a molecular weight of 278.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenyl)-1-benzofuran-6-carboximidamide is sourced from PubChem (CID 25139354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).