N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide

C13H10BrN3O2 — CID 886876

IUPACN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
InChIInChI=1S/C13H10BrN3O2/c1-7(18)15-8-2-3-9-10(6-8)17-13(16-9)11-4-5-12(14)19-11/h2-6H,1H3,(H,15,18)(H,16,17)
InChIKeySBCKMOXRURGLGK-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.54
Rot. Bonds2

About N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide

N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 886876) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID886876
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
InChIInChI=1S/C13H10BrN3O2/c1-7(18)15-8-2-3-9-10(6-8)17-13(16-9)11-4-5-12(14)19-11/h2-6H,1H3,(H,15,18)(H,16,17)
InChIKeySBCKMOXRURGLGK-UHFFFAOYSA-N
XLogP3.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 886876) is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is SBCKMOXRURGLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c1-7(18)15-8-2-3-9-10(6-8)17-13(16-9)11-4-5-12(14)19-11/h2-6H,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide?
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 320.15 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 886876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).