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

C14H8FN3O2 — CID 15428745

IUPAC3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)
InChIKeyJSRKYARWMIOKOB-UHFFFAOYSA-N
MW269.24 g/mol
LogP2.60
Rot. Bonds1

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

3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (PubChem CID 15428745) has the molecular formula C14H8FN3O2 and a molecular weight of 269.24 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
PubChem CID15428745
Molecular FormulaC14H8FN3O2
Molecular Weight269.24 g/mol
Exact Mass269.06
IUPAC Name3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)
InChIKeyJSRKYARWMIOKOB-UHFFFAOYSA-N
XLogP2.60
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (CID 15428745) is 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1nc2ccc(F)cc2o1.
What is the InChIKey of 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The InChIKey is JSRKYARWMIOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19).
What are the key properties of 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one has a molecular weight of 269.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 15428745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).