2-(furan-2-yl)-3H-benzimidazol-5-amine

C11H9N3O — CID 744225

IUPAC2-(furan-2-yl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C11H9N3O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)
InChIKeyVNTKPXBQPUSWQY-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.41
Rot. Bonds1

About 2-(furan-2-yl)-3H-benzimidazol-5-amine

2-(furan-2-yl)-3H-benzimidazol-5-amine (PubChem CID 744225) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(furan-2-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-3H-benzimidazol-5-amine
PubChem CID744225
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(furan-2-yl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C11H9N3O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)
InChIKeyVNTKPXBQPUSWQY-UHFFFAOYSA-N
XLogP2.41
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(furan-2-yl)-3H-benzimidazol-5-amine (CID 744225) is 2-(furan-2-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(furan-2-yl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of 2-(furan-2-yl)-3H-benzimidazol-5-amine?
The InChIKey is VNTKPXBQPUSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14).
What are the key properties of 2-(furan-2-yl)-3H-benzimidazol-5-amine?
2-(furan-2-yl)-3H-benzimidazol-5-amine has a molecular weight of 199.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 744225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).