(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C19H22N4O3 — CID 71109632

IUPAC(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCN(C)c1ccc2nc(-c3ccccn3)n([C@H]3CC(O)[C@@H](CO)O3)c2c1
InChIInChI=1S/C19H22N4O3/c1-22(2)12-6-7-13-15(9-12)23(18-10-16(25)17(11-24)26-18)19(21-13)14-5-3-4-8-20-14/h3-9,16-18,24-25H,10-11H2,1-2H3/t16?,17-,18-/m1/s1
InChIKeySTAIHBDPEUHWSG-UKKPGEIXSA-N
MW354.41 g/mol
LogP1.80
Rot. Bonds4

About (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71109632) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71109632
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESCN(C)c1ccc2nc(-c3ccccn3)n([C@H]3CC(O)[C@@H](CO)O3)c2c1
InChIInChI=1S/C19H22N4O3/c1-22(2)12-6-7-13-15(9-12)23(18-10-16(25)17(11-24)26-18)19(21-13)14-5-3-4-8-20-14/h3-9,16-18,24-25H,10-11H2,1-2H3/t16?,17-,18-/m1/s1
InChIKeySTAIHBDPEUHWSG-UKKPGEIXSA-N
XLogP1.80
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 71109632) is (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is CN(C)c1ccc2nc(-c3ccccn3)n([C@H]3CC(O)[C@@H](CO)O3)c2c1.
What is the InChIKey of (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is STAIHBDPEUHWSG-UKKPGEIXSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(2)12-6-7-13-15(9-12)23(18-10-16(25)17(11-24)26-18)19(21-13)14-5-3-4-8-20-14/h3-9,16-18,24-25H,10-11H2,1-2H3/t16?,17-,18-/m1/s1.
What are the key properties of (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 354.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71109632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).