2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide

C10H9N3O3 — CID 19851021

IUPAC2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide
SMILESNC(=O)C(C=O)c1nc2ccccc2n1O
InChIInChI=1S/C10H9N3O3/c11-9(15)6(5-14)10-12-7-3-1-2-4-8(7)13(10)16/h1-6,16H,(H2,11,15)
InChIKeyMMTIYUBJCHNORH-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.04
Rot. Bonds3

About 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide

2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide (PubChem CID 19851021) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide.

Molecular Properties

Compound Name2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide
PubChem CID19851021
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide
SMILESNC(=O)C(C=O)c1nc2ccccc2n1O
InChIInChI=1S/C10H9N3O3/c11-9(15)6(5-14)10-12-7-3-1-2-4-8(7)13(10)16/h1-6,16H,(H2,11,15)
InChIKeyMMTIYUBJCHNORH-UHFFFAOYSA-N
XLogP0.04
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide?
The IUPAC name of 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide (CID 19851021) is 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide.
What is the SMILES notation for 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide?
The canonical SMILES for 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide is NC(=O)C(C=O)c1nc2ccccc2n1O.
What is the InChIKey of 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide?
The InChIKey is MMTIYUBJCHNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-9(15)6(5-14)10-12-7-3-1-2-4-8(7)13(10)16/h1-6,16H,(H2,11,15).
What are the key properties of 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide?
2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide has a molecular weight of 219.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybenzimidazol-2-yl)-3-oxopropanamide is sourced from PubChem (CID 19851021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).