5,7-difluoro-1,7a-dihydrobenzimidazol-2-one

C7H4F2N2O — CID 71303241

IUPAC5,7-difluoro-1,7a-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=C(F)C=C(F)C2N1
InChIInChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2,6H,(H,11,12)
InChIKeyFDBYZTOMJTYQTQ-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.24
Rot. Bonds

About 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one

5,7-difluoro-1,7a-dihydrobenzimidazol-2-one (PubChem CID 71303241) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5,7-difluoro-1,7a-dihydrobenzimidazol-2-one
PubChem CID71303241
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name5,7-difluoro-1,7a-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=C(F)C=C(F)C2N1
InChIInChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2,6H,(H,11,12)
InChIKeyFDBYZTOMJTYQTQ-UHFFFAOYSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one?
The IUPAC name of 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one (CID 71303241) is 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one?
The canonical SMILES for 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one is O=C1N=C2C=C(F)C=C(F)C2N1.
What is the InChIKey of 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one?
The InChIKey is FDBYZTOMJTYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2,6H,(H,11,12).
What are the key properties of 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one?
5,7-difluoro-1,7a-dihydrobenzimidazol-2-one has a molecular weight of 170.12 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1,7a-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71303241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).