(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C13H16N2O4 — CID 10264771

IUPAC(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2ccccc21
InChIInChI=1S/C13H16N2O4/c1-13(18)11(17)10(6-16)19-12(13)15-7-14-8-4-2-3-5-9(8)15/h2-5,7,10-12,16-18H,6H2,1H3/t10-,11-,12-,13-/m1/s1
InChIKeyXQOQXJOZPHDFSE-FDYHWXHSSA-N
MW264.28 g/mol
LogP0.04
Rot. Bonds2

About (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 10264771) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID10264771
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2ccccc21
InChIInChI=1S/C13H16N2O4/c1-13(18)11(17)10(6-16)19-12(13)15-7-14-8-4-2-3-5-9(8)15/h2-5,7,10-12,16-18H,6H2,1H3/t10-,11-,12-,13-/m1/s1
InChIKeyXQOQXJOZPHDFSE-FDYHWXHSSA-N
XLogP0.04
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R,5R)-2-(benzimidazol-1-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 91000208
(2R,3R,4R,5R)-2-[2-amino-6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 46852790
2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 67431468
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylpurin-9-yl)oxolane-3,4-diol
CID 58691067
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide
CID 123674888
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
(2S,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 162030901
(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 122362415
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
(2R,3R,4R,5R)-2-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 56658823
CID 140732651
CID 140732651

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 10264771) is (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2ccccc21.
What is the InChIKey of (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is XQOQXJOZPHDFSE-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(18)11(17)10(6-16)19-12(13)15-7-14-8-4-2-3-5-9(8)15/h2-5,7,10-12,16-18H,6H2,1H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 264.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 10264771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).