2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide

C17H16N4O2 — CID 25139901

IUPAC2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)c(-c2cc3cc(/C(N)=N/[H])ccc3o2)c1
InChIInChI=1S/C17H16N4O2/c1-22-14-5-3-10(17(20)21)7-12(14)15-8-11-6-9(16(18)19)2-4-13(11)23-15/h2-8H,1H3,(H3,18,19)(H3,20,21)
InChIKeyGWPHCNREPHVRGA-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.68
Rot. Bonds4

About 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide

2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide (PubChem CID 25139901) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide
PubChem CID25139901
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)c(-c2cc3cc(/C(N)=N/[H])ccc3o2)c1
InChIInChI=1S/C17H16N4O2/c1-22-14-5-3-10(17(20)21)7-12(14)15-8-11-6-9(16(18)19)2-4-13(11)23-15/h2-8H,1H3,(H3,18,19)(H3,20,21)
InChIKeyGWPHCNREPHVRGA-UHFFFAOYSA-N
XLogP2.68
TPSA122.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide?
The IUPAC name of 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide (CID 25139901) is 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide.
What is the SMILES notation for 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide?
The canonical SMILES for 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide is [H]/N=C(\N)c1ccc(OC)c(-c2cc3cc(/C(N)=N/[H])ccc3o2)c1.
What is the InChIKey of 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide?
The InChIKey is GWPHCNREPHVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-14-5-3-10(17(20)21)7-12(14)15-8-11-6-9(16(18)19)2-4-13(11)23-15/h2-8H,1H3,(H3,18,19)(H3,20,21).
What are the key properties of 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide?
2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide has a molecular weight of 308.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoyl-2-methoxyphenyl)-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 25139901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).