4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one

C12H7F3N4O — CID 178072799

IUPAC4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2c(F)ccc(-c3cnc(C(F)F)cn3)c2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-6-2-1-5(9-10(6)19-12(20)18-9)7-3-17-8(4-16-7)11(14)15/h1-4,11H,(H2,18,19,20)
InChIKeyCJGRNLFSKFVKAO-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.39
Rot. Bonds2

About 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one

4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one (PubChem CID 178072799) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one
PubChem CID178072799
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2c(F)ccc(-c3cnc(C(F)F)cn3)c2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-6-2-1-5(9-10(6)19-12(20)18-9)7-3-17-8(4-16-7)11(14)15/h1-4,11H,(H2,18,19,20)
InChIKeyCJGRNLFSKFVKAO-UHFFFAOYSA-N
XLogP2.39
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one (CID 178072799) is 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2c(F)ccc(-c3cnc(C(F)F)cn3)c2[nH]1.
What is the InChIKey of 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CJGRNLFSKFVKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-6-2-1-5(9-10(6)19-12(20)18-9)7-3-17-8(4-16-7)11(14)15/h1-4,11H,(H2,18,19,20).
What are the key properties of 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one?
4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 280.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 178072799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).