1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol

C13H16N2O4 — CID 71099696

IUPAC1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol
SMILESCc1cc2c(cc1O)ncn2[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C13H16N2O4/c1-7-2-9-8(3-10(7)17)14-6-15(9)13-4-11(18)12(5-16)19-13/h2-3,6,11-13,16-18H,4-5H2,1H3/t11?,12-,13-/m1/s1
InChIKeyHYZYGQOMPDKHDV-VFRRUGBOSA-N
MW264.28 g/mol
LogP0.69
Rot. Bonds2

About 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol (PubChem CID 71099696) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol.

Molecular Properties

Compound Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol
PubChem CID71099696
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol
SMILESCc1cc2c(cc1O)ncn2[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C13H16N2O4/c1-7-2-9-8(3-10(7)17)14-6-15(9)13-4-11(18)12(5-16)19-13/h2-3,6,11-13,16-18H,4-5H2,1H3/t11?,12-,13-/m1/s1
InChIKeyHYZYGQOMPDKHDV-VFRRUGBOSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;5-(4-ethyl-5-methylimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 176926407
2-(hydroxymethyl)-5-(5-methyl-4-prop-1-en-2-ylimidazol-1-yl)oxolan-3-ol
CID 167126129
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 11967941
(2R,3R,4S,5S,6R)-2-(5,6-dimethylbenzimidazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171384115
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367096
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitrobenzimidazol-1-yl)oxolan-3-ol
CID 14464884
(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 15217056
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
CID 165413697

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol?
The IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol (CID 71099696) is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol.
What is the SMILES notation for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol?
The canonical SMILES for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol is Cc1cc2c(cc1O)ncn2[C@H]1CC(O)[C@@H](CO)O1.
What is the InChIKey of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol?
The InChIKey is HYZYGQOMPDKHDV-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-2-9-8(3-10(7)17)14-6-15(9)13-4-11(18)12(5-16)19-13/h2-3,6,11-13,16-18H,4-5H2,1H3/t11?,12-,13-/m1/s1.
What are the key properties of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol?
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol has a molecular weight of 264.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol is sourced from PubChem (CID 71099696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).