2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole

C13H6F4N2 — CID 81463378

IUPAC2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1ccc(F)c(-c2nc3c(F)cc(F)cc3[nH]2)c1
InChIInChI=1S/C13H6F4N2/c14-6-1-2-9(16)8(3-6)13-18-11-5-7(15)4-10(17)12(11)19-13/h1-5H,(H,18,19)
InChIKeyUJQSKXUPJSZWIQ-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.79
Rot. Bonds1

About 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole

2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463378) has the molecular formula C13H6F4N2 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463378
Molecular FormulaC13H6F4N2
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1ccc(F)c(-c2nc3c(F)cc(F)cc3[nH]2)c1
InChIInChI=1S/C13H6F4N2/c14-6-1-2-9(16)8(3-6)13-18-11-5-7(15)4-10(17)12(11)19-13/h1-5H,(H,18,19)
InChIKeyUJQSKXUPJSZWIQ-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918
2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463194
2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710717
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615392
4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 81463104

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole (CID 81463378) is 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole is Fc1ccc(F)c(-c2nc3c(F)cc(F)cc3[nH]2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is UJQSKXUPJSZWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2/c14-6-1-2-9(16)8(3-6)13-18-11-5-7(15)4-10(17)12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole?
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 266.20 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).