6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid

C12H7FN4O2 — CID 113398072

IUPAC6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cnccn3)[nH]c2cc1F
InChIInChI=1S/C12H7FN4O2/c13-7-4-9-8(3-6(7)12(18)19)16-11(17-9)10-5-14-1-2-15-10/h1-5H,(H,16,17)(H,18,19)
InChIKeyOCUBFKCAVVOMJT-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.86
Rot. Bonds2

About 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid

6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid (PubChem CID 113398072) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
PubChem CID113398072
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cnccn3)[nH]c2cc1F
InChIInChI=1S/C12H7FN4O2/c13-7-4-9-8(3-6(7)12(18)19)16-11(17-9)10-5-14-1-2-15-10/h1-5H,(H,16,17)(H,18,19)
InChIKeyOCUBFKCAVVOMJT-UHFFFAOYSA-N
XLogP1.86
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107963408
2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107989457
6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
CID 113398057
5-(2-fluorophenoxy)-6-[(6-nitro-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-benzimidazole
CID 23145462
5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421075
1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone
CID 141121788
5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
CID 162531071
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2,2,2-trifluoro-1-[(1S,12S)-1,16,16-trimethyl-6-pyrazin-2-yl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]ethanone
CID 58124003
2-methyl-6-pyrazin-2-ylpyridine-4-carboxylic acid
CID 138718150
6-fluoroquinoline-7-carboxylic acid
CID 175475921

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid (CID 113398072) is 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2nc(-c3cnccn3)[nH]c2cc1F.
What is the InChIKey of 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid?
The InChIKey is OCUBFKCAVVOMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-7-4-9-8(3-6(7)12(18)19)16-11(17-9)10-5-14-1-2-15-10/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid?
6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 113398072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).