3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide

C10H11N3O3 — CID 132781902

IUPAC3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O3/c11-9(16)7(14)8(15)10-12-5-3-1-2-4-6(5)13-10/h1-4,7-8,14-15H,(H2,11,16)(H,12,13)
InChIKeyZQWJLOXKOOYKQC-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.56
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide

3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide (PubChem CID 132781902) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
PubChem CID132781902
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O3/c11-9(16)7(14)8(15)10-12-5-3-1-2-4-6(5)13-10/h1-4,7-8,14-15H,(H2,11,16)(H,12,13)
InChIKeyZQWJLOXKOOYKQC-UHFFFAOYSA-N
XLogP-0.56
TPSA112.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 2828965
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 69341417
2-(1H-benzimidazol-2-yl)-2-methoxyacetamide
CID 118108500
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
N-(2-aminooxy-3-methylbutyl)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 155964070
(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
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
(2S,3R)-3-(1H-benzo[f]benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 7425689

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide (CID 132781902) is 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
The InChIKey is ZQWJLOXKOOYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-9(16)7(14)8(15)10-12-5-3-1-2-4-6(5)13-10/h1-4,7-8,14-15H,(H2,11,16)(H,12,13).
What are the key properties of 3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide?
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide has a molecular weight of 221.22 g/mol, XLogP of -0.56, 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-dihydroxypropanamide is sourced from PubChem (CID 132781902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).