2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole

C11H5BrF2N2S — CID 81463096

IUPAC2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3sccc3Br)[nH]c2c1
InChIInChI=1S/C11H5BrF2N2S/c12-6-1-2-17-10(6)11-15-8-4-5(13)3-7(14)9(8)16-11/h1-4H,(H,15,16)
InChIKeyCSBBJKZMTFCVIO-UHFFFAOYSA-N
MW315.14 g/mol
LogP4.33
Rot. Bonds1

About 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole

2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463096) has the molecular formula C11H5BrF2N2S and a molecular weight of 315.14 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463096
Molecular FormulaC11H5BrF2N2S
Molecular Weight315.14 g/mol
Exact Mass313.93
IUPAC Name2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3sccc3Br)[nH]c2c1
InChIInChI=1S/C11H5BrF2N2S/c12-6-1-2-17-10(6)11-15-8-4-5(13)3-7(14)9(8)16-11/h1-4H,(H,15,16)
InChIKeyCSBBJKZMTFCVIO-UHFFFAOYSA-N
XLogP4.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole 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 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole (CID 81463096) is 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole is Fc1cc(F)c2nc(-c3sccc3Br)[nH]c2c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is CSBBJKZMTFCVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2N2S/c12-6-1-2-17-10(6)11-15-8-4-5(13)3-7(14)9(8)16-11/h1-4H,(H,15,16).
What are the key properties of 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 315.14 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).