6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one

C16H10FN3O — CID 110491246

IUPAC6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1-c1cccc2cccnc12
InChIInChI=1S/C16H10FN3O/c17-11-6-7-13-12(9-11)19-16(21)20(13)14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21)
InChIKeyDIXXGACUPZIZKY-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.01
Rot. Bonds1

About 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one

6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one (PubChem CID 110491246) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
PubChem CID110491246
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1-c1cccc2cccnc12
InChIInChI=1S/C16H10FN3O/c17-11-6-7-13-12(9-11)19-16(21)20(13)14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21)
InChIKeyDIXXGACUPZIZKY-UHFFFAOYSA-N
XLogP3.01
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one
CID 110491210
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
3-quinolin-5-yl-1H-benzimidazol-2-one
CID 146175427
4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
CID 73426556
1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 152605338
9-iodo-5-quinolin-8-ylphenanthridin-6-one
CID 158402058
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
1-methyl-5-quinolin-8-ylphenanthridin-6-one
CID 164682820
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one (CID 110491246) is 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1-c1cccc2cccnc12.
What is the InChIKey of 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one?
The InChIKey is DIXXGACUPZIZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-11-6-7-13-12(9-11)19-16(21)20(13)14-5-1-3-10-4-2-8-18-15(10)14/h1-9H,(H,19,21).
What are the key properties of 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one?
6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one has a molecular weight of 279.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 110491246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).