3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one

C14H12FN3O2 — CID 15428740

IUPAC3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(n1-c1nc3cccc(F)c3o1)CCCC2
InChIInChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)
InChIKeyDGZYPGWWTKGBQP-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.32
Rot. Bonds1

About 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one

3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one (PubChem CID 15428740) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
PubChem CID15428740
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(n1-c1nc3cccc(F)c3o1)CCCC2
InChIInChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)
InChIKeyDGZYPGWWTKGBQP-UHFFFAOYSA-N
XLogP2.32
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
The IUPAC name of 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one (CID 15428740) is 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one is O=c1[nH]c2c(n1-c1nc3cccc(F)c3o1)CCCC2.
What is the InChIKey of 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
The InChIKey is DGZYPGWWTKGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19).
What are the key properties of 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one has a molecular weight of 273.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one is sourced from PubChem (CID 15428740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).