5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline

C15H8F2N4 — CID 104615392

IUPAC5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
SMILESFc1cc(F)c2nc(-c3cccc4nccnc34)[nH]c2c1
InChIInChI=1S/C15H8F2N4/c16-8-6-10(17)14-12(7-8)20-15(21-14)9-2-1-3-11-13(9)19-5-4-18-11/h1-7H,(H,20,21)
InChIKeyIKMHVEQSSLRQMK-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.45
Rot. Bonds1

About 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline

5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline (PubChem CID 104615392) has the molecular formula C15H8F2N4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline.

Molecular Properties

Compound Name5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
PubChem CID104615392
Molecular FormulaC15H8F2N4
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Name5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
SMILESFc1cc(F)c2nc(-c3cccc4nccnc34)[nH]c2c1
InChIInChI=1S/C15H8F2N4/c16-8-6-10(17)14-12(7-8)20-15(21-14)9-2-1-3-11-13(9)19-5-4-18-11/h1-7H,(H,20,21)
InChIKeyIKMHVEQSSLRQMK-UHFFFAOYSA-N
XLogP3.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
CID 104615378
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
5-(7H-purin-8-yl)quinoxaline
CID 114402530
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline?
The IUPAC name of 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline (CID 104615392) is 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline.
What is the SMILES notation for 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline?
The canonical SMILES for 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline is Fc1cc(F)c2nc(-c3cccc4nccnc34)[nH]c2c1.
What is the InChIKey of 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline?
The InChIKey is IKMHVEQSSLRQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4/c16-8-6-10(17)14-12(7-8)20-15(21-14)9-2-1-3-11-13(9)19-5-4-18-11/h1-7H,(H,20,21).
What are the key properties of 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline?
5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline has a molecular weight of 282.25 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline is sourced from PubChem (CID 104615392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).