1-benzofuran-2-carboximidamide

C9H8N2O — CID 3055556

IUPAC1-benzofuran-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2o1
InChIInChI=1S/C9H8N2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)
InChIKeyPDECXGQFPNZGGZ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.72
Rot. Bonds1

About 1-benzofuran-2-carboximidamide

1-benzofuran-2-carboximidamide (PubChem CID 3055556) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-benzofuran-2-carboximidamide.

Molecular Properties

Compound Name1-benzofuran-2-carboximidamide
PubChem CID3055556
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-benzofuran-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2o1
InChIInChI=1S/C9H8N2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)
InChIKeyPDECXGQFPNZGGZ-UHFFFAOYSA-N
XLogP1.72
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-benzofuran-2-carboximidamide?
The IUPAC name of 1-benzofuran-2-carboximidamide (CID 3055556) is 1-benzofuran-2-carboximidamide.
What is the SMILES notation for 1-benzofuran-2-carboximidamide?
The canonical SMILES for 1-benzofuran-2-carboximidamide is [H]/N=C(\N)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-carboximidamide?
The InChIKey is PDECXGQFPNZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11).
What are the key properties of 1-benzofuran-2-carboximidamide?
1-benzofuran-2-carboximidamide has a molecular weight of 160.18 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-carboximidamide is sourced from PubChem (CID 3055556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).