2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole

C13H7Cl2FN2 — CID 60979200

IUPAC2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C13H7Cl2FN2/c14-8-2-1-3-9(15)12(8)13-17-10-5-4-7(16)6-11(10)18-13/h1-6H,(H,17,18)
InChIKeyBVFLEXBQJHEDRU-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.68
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole

2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole (PubChem CID 60979200) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
PubChem CID60979200
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C13H7Cl2FN2/c14-8-2-1-3-9(15)12(8)13-17-10-5-4-7(16)6-11(10)18-13/h1-6H,(H,17,18)
InChIKeyBVFLEXBQJHEDRU-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,6-dichlorophenyl)-6-fluoro-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-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole (CID 60979200) is 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole is Fc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is BVFLEXBQJHEDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-8-2-1-3-9(15)12(8)13-17-10-5-4-7(16)6-11(10)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole?
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 281.12 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 60979200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).