3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol

C12H16N2O4 — CID 174006603

IUPAC3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol
SMILESOC[C@H]1O[C@@H](N2c3ccccc3NC2O)CC1O
InChIInChI=1S/C12H16N2O4/c15-6-10-9(16)5-11(18-10)14-8-4-2-1-3-7(8)13-12(14)17/h1-4,9-13,15-17H,5-6H2/t9?,10-,11-,12?/m1/s1
InChIKeyNXLLCWLAIAYLTL-BFUDSRACSA-N
MW252.27 g/mol
LogP-0.34
Rot. Bonds2

About 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol

3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol (PubChem CID 174006603) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol.

Molecular Properties

Compound Name3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol
PubChem CID174006603
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol
SMILESOC[C@H]1O[C@@H](N2c3ccccc3NC2O)CC1O
InChIInChI=1S/C12H16N2O4/c15-6-10-9(16)5-11(18-10)14-8-4-2-1-3-7(8)13-12(14)17/h1-4,9-13,15-17H,5-6H2/t9?,10-,11-,12?/m1/s1
InChIKeyNXLLCWLAIAYLTL-BFUDSRACSA-N
XLogP-0.34
TPSA85.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-6-one
CID 163880469
2-hydroxy-3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-4-one
CID 177150363
(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
CID 101024789
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
4-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2-thione
CID 171137854
(2R,5R)-5-(6-amino-2-methylidene-1,4-dihydro-1,3,5-triazin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90295339
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide
CID 100968712
[2-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]boronic acid
CID 10729527
5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 21202641
(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol
CID 101424265

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol?
The IUPAC name of 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol (CID 174006603) is 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol.
What is the SMILES notation for 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol?
The canonical SMILES for 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol is OC[C@H]1O[C@@H](N2c3ccccc3NC2O)CC1O.
What is the InChIKey of 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol?
The InChIKey is NXLLCWLAIAYLTL-BFUDSRACSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-6-10-9(16)5-11(18-10)14-8-4-2-1-3-7(8)13-12(14)17/h1-4,9-13,15-17H,5-6H2/t9?,10-,11-,12?/m1/s1.
What are the key properties of 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol?
3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol has a molecular weight of 252.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol is sourced from PubChem (CID 174006603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).