2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole

C13H7F3N2 — CID 64723548

IUPAC2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(F)cccc3[nH]2)c1F
InChIInChI=1S/C13H7F3N2/c14-8-4-1-3-7(11(8)16)13-17-10-6-2-5-9(15)12(10)18-13/h1-6H,(H,17,18)
InChIKeyBHACHCALQUPJCY-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.65
Rot. Bonds1

About 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole

2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole (PubChem CID 64723548) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
PubChem CID64723548
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(F)cccc3[nH]2)c1F
InChIInChI=1S/C13H7F3N2/c14-8-4-1-3-7(11(8)16)13-17-10-6-2-5-9(15)12(10)18-13/h1-6H,(H,17,18)
InChIKeyBHACHCALQUPJCY-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole (CID 64723548) is 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole is Fc1cccc(-c2nc3c(F)cccc3[nH]2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole?
The InChIKey is BHACHCALQUPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-8-4-1-3-7(11(8)16)13-17-10-6-2-5-9(15)12(10)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole?
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole has a molecular weight of 248.21 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 64723548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).