6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one

C14H7F2N3O2 — CID 15428750

IUPAC6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1-c1nc2cccc(F)c2o1
InChIInChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)
InChIKeyWAEXHEOACCAOSS-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.74
Rot. Bonds1

About 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one

6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (PubChem CID 15428750) has the molecular formula C14H7F2N3O2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
PubChem CID15428750
Molecular FormulaC14H7F2N3O2
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1-c1nc2cccc(F)c2o1
InChIInChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)
InChIKeyWAEXHEOACCAOSS-UHFFFAOYSA-N
XLogP2.74
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (CID 15428750) is 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1-c1nc2cccc(F)c2o1.
What is the InChIKey of 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The InChIKey is WAEXHEOACCAOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20).
What are the key properties of 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one has a molecular weight of 287.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 15428750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).