2-(5-bromofuran-2-yl)-1H-benzimidazole

C11H7BrN2O — CID 874005

IUPAC2-(5-bromofuran-2-yl)-1H-benzimidazole
SMILESBrc1ccc(-c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C11H7BrN2O/c12-10-6-5-9(15-10)11-13-7-3-1-2-4-8(7)14-11/h1-6H,(H,13,14)
InChIKeyMDASWRVQPNUUNC-UHFFFAOYSA-N
MW263.09 g/mol
LogP3.59
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-1H-benzimidazole

2-(5-bromofuran-2-yl)-1H-benzimidazole (PubChem CID 874005) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-1H-benzimidazole
PubChem CID874005
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name2-(5-bromofuran-2-yl)-1H-benzimidazole
SMILESBrc1ccc(-c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C11H7BrN2O/c12-10-6-5-9(15-10)11-13-7-3-1-2-4-8(7)14-11/h1-6H,(H,13,14)
InChIKeyMDASWRVQPNUUNC-UHFFFAOYSA-N
XLogP3.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-1H-benzimidazole (CID 874005) is 2-(5-bromofuran-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-1H-benzimidazole is Brc1ccc(-c2nc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-1H-benzimidazole?
The InChIKey is MDASWRVQPNUUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-10-6-5-9(15-10)11-13-7-3-1-2-4-8(7)14-11/h1-6H,(H,13,14).
What are the key properties of 2-(5-bromofuran-2-yl)-1H-benzimidazole?
2-(5-bromofuran-2-yl)-1H-benzimidazole has a molecular weight of 263.09 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-1H-benzimidazole is sourced from PubChem (CID 874005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).