2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol

C19H21N3O4 — CID 22209731

IUPAC2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol
SMILESOCC1OC(C2(CCc3ccccn3)N=c3ccccc3=N2)C(O)C1O
InChIInChI=1S/C19H21N3O4/c23-11-15-16(24)17(25)18(26-15)19(9-8-12-5-3-4-10-20-12)21-13-6-1-2-7-14(13)22-19/h1-7,10,15-18,23-25H,8-9,11H2
InChIKeyKADHRTAGBAUXGC-UHFFFAOYSA-N
MW355.39 g/mol
LogP-0.86
Rot. Bonds5

About 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol

2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol (PubChem CID 22209731) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol
PubChem CID22209731
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol
SMILESOCC1OC(C2(CCc3ccccn3)N=c3ccccc3=N2)C(O)C1O
InChIInChI=1S/C19H21N3O4/c23-11-15-16(24)17(25)18(26-15)19(9-8-12-5-3-4-10-20-12)21-13-6-1-2-7-14(13)22-19/h1-7,10,15-18,23-25H,8-9,11H2
InChIKeyKADHRTAGBAUXGC-UHFFFAOYSA-N
XLogP-0.86
TPSA107.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
CID 74578427
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]-3-phenylurea;dihydrochloride
CID 146118897
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 74578383
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
CID 28962296
5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 74577760
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-2-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885335
3-chloro-4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 28962252
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-3-pyridinyl)oxolane-3,4-diol
CID 91505027
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
CID 176753109
8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171960175
(2R,4S,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-b]pyridin-1-yloxolane-3,4-diol
CID 162472621
9-pyridin-2-ylnonan-1-ol
CID 12680899

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol (CID 22209731) is 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol is OCC1OC(C2(CCc3ccccn3)N=c3ccccc3=N2)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol?
The InChIKey is KADHRTAGBAUXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-11-15-16(24)17(25)18(26-15)19(9-8-12-5-3-4-10-20-12)21-13-6-1-2-7-14(13)22-19/h1-7,10,15-18,23-25H,8-9,11H2.
What are the key properties of 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol?
2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol has a molecular weight of 355.39 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[2-(2-pyridin-2-ylethyl)benzimidazol-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 22209731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).