3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid

C10H10N2O4 — CID 2828965

IUPAC3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H10N2O4/c13-7(8(14)10(15)16)9-11-5-3-1-2-4-6(5)12-9/h1-4,7-8,13-14H,(H,11,12)(H,15,16)
InChIKeyFUOWVFMEVIDAKH-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.04
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid

3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid (PubChem CID 2828965) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
PubChem CID2828965
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H10N2O4/c13-7(8(14)10(15)16)9-11-5-3-1-2-4-6(5)12-9/h1-4,7-8,13-14H,(H,11,12)(H,15,16)
InChIKeyFUOWVFMEVIDAKH-UHFFFAOYSA-N
XLogP0.04
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 132781902
(2S,3R)-3-(1H-benzo[f]benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 7425689
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-(1H-benzimidazol-2-yl)-3-oxo-3-sulfanylpropanoic acid
CID 57069961
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 69341417
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
(2S,3R,4R,5R)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
CID 165358065
(1R,2R,3S,4S,5S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
CID 131884748

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid (CID 2828965) is 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is FUOWVFMEVIDAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-7(8(14)10(15)16)9-11-5-3-1-2-4-6(5)12-9/h1-4,7-8,13-14H,(H,11,12)(H,15,16).
What are the key properties of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid?
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 222.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 2828965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).