(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C12H11F3N2O3 — CID 132546864

IUPAC(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3cc(F)cc(F)c32)[C@@H](F)[C@@H]1O
InChIInChI=1S/C12H11F3N2O3/c13-5-1-6(14)10-7(2-5)16-4-17(10)12-9(15)11(19)8(3-18)20-12/h1-2,4,8-9,11-12,18-19H,3H2/t8-,9+,11-,12-/m1/s1
InChIKeyIJOCMPVIMWZMDY-RBLKWDMZSA-N
MW288.23 g/mol
LogP0.90
Rot. Bonds2

About (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 132546864) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID132546864
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3cc(F)cc(F)c32)[C@@H](F)[C@@H]1O
InChIInChI=1S/C12H11F3N2O3/c13-5-1-6(14)10-7(2-5)16-4-17(10)12-9(15)11(19)8(3-18)20-12/h1-2,4,8-9,11-12,18-19H,3H2/t8-,9+,11-,12-/m1/s1
InChIKeyIJOCMPVIMWZMDY-RBLKWDMZSA-N
XLogP0.90
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Related Compounds

(2R,3R,4S,5R)-5-(5,6-dichlorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57308895
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
5-(2-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 19934353
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209
(2S,3S,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3058094
(2R,3R,4S,5R)-5-[6-(dimethylamino)-2-fluoropurin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 67910456
(2R,3R,4S,5R)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10517505
4-amino-5-fluoro-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23317943
CID 176801475
CID 176801475
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
9-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137278946
(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 14853623

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 132546864) is (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](n2cnc3cc(F)cc(F)c32)[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is IJOCMPVIMWZMDY-RBLKWDMZSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-5-1-6(14)10-7(2-5)16-4-17(10)12-9(15)11(19)8(3-18)20-12/h1-2,4,8-9,11-12,18-19H,3H2/t8-,9+,11-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 288.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-(5,7-difluorobenzimidazol-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 132546864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).