1-(1-benzofuran-7-yl)benzimidazol-2-amine

C15H11N3O — CID 164628479

IUPAC1-(1-benzofuran-7-yl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1-c1cccc2ccoc12
InChIInChI=1S/C15H11N3O/c16-15-17-11-5-1-2-6-12(11)18(15)13-7-3-4-10-8-9-19-14(10)13/h1-9H,(H2,16,17)
InChIKeyKGHZHDJHTIREKA-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.35
Rot. Bonds1

About 1-(1-benzofuran-7-yl)benzimidazol-2-amine

1-(1-benzofuran-7-yl)benzimidazol-2-amine (PubChem CID 164628479) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)benzimidazol-2-amine
PubChem CID164628479
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-(1-benzofuran-7-yl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1-c1cccc2ccoc12
InChIInChI=1S/C15H11N3O/c16-15-17-11-5-1-2-6-12(11)18(15)13-7-3-4-10-8-9-19-14(10)13/h1-9H,(H2,16,17)
InChIKeyKGHZHDJHTIREKA-UHFFFAOYSA-N
XLogP3.35
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)benzimidazol-2-amine?
The IUPAC name of 1-(1-benzofuran-7-yl)benzimidazol-2-amine (CID 164628479) is 1-(1-benzofuran-7-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(1-benzofuran-7-yl)benzimidazol-2-amine is Nc1nc2ccccc2n1-c1cccc2ccoc12.
What is the InChIKey of 1-(1-benzofuran-7-yl)benzimidazol-2-amine?
The InChIKey is KGHZHDJHTIREKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-15-17-11-5-1-2-6-12(11)18(15)13-7-3-4-10-8-9-19-14(10)13/h1-9H,(H2,16,17).
What are the key properties of 1-(1-benzofuran-7-yl)benzimidazol-2-amine?
1-(1-benzofuran-7-yl)benzimidazol-2-amine has a molecular weight of 249.27 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)benzimidazol-2-amine is sourced from PubChem (CID 164628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).