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

C13H7F3N2 — CID 81462567

IUPAC4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(F)cc(F)cc3[nH]2)c1
InChIInChI=1S/C13H7F3N2/c14-8-3-1-2-7(4-8)13-17-11-6-9(15)5-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyDJZVHEUAAQXQQS-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.65
Rot. Bonds1

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

4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole (PubChem CID 81462567) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
PubChem CID81462567
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(F)cc(F)cc3[nH]2)c1
InChIInChI=1S/C13H7F3N2/c14-8-3-1-2-7(4-8)13-17-11-6-9(15)5-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyDJZVHEUAAQXQQS-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 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole (CID 81462567) is 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole is Fc1cccc(-c2nc3c(F)cc(F)cc3[nH]2)c1.
What is the InChIKey of 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole?
The InChIKey is DJZVHEUAAQXQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-8-3-1-2-7(4-8)13-17-11-6-9(15)5-10(16)12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole?
4,6-difluoro-2-(3-fluorophenyl)-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 4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 81462567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).