N-(2-oxobenzimidazol-4-yl)acetamide

C9H7N3O2 — CID 141038440

IUPACN-(2-oxobenzimidazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C9H7N3O2/c1-5(13)10-6-3-2-4-7-8(6)12-9(14)11-7/h2-4H,1H3,(H,10,13)
InChIKeyMJDOEDYOVUIOGR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.02
Rot. Bonds1

About N-(2-oxobenzimidazol-4-yl)acetamide

N-(2-oxobenzimidazol-4-yl)acetamide (PubChem CID 141038440) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is N-(2-oxobenzimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxobenzimidazol-4-yl)acetamide
PubChem CID141038440
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC NameN-(2-oxobenzimidazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C9H7N3O2/c1-5(13)10-6-3-2-4-7-8(6)12-9(14)11-7/h2-4H,1H3,(H,10,13)
InChIKeyMJDOEDYOVUIOGR-UHFFFAOYSA-N
XLogP0.02
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxobenzimidazol-4-yl)acetamide?
The IUPAC name of N-(2-oxobenzimidazol-4-yl)acetamide (CID 141038440) is N-(2-oxobenzimidazol-4-yl)acetamide.
What is the SMILES notation for N-(2-oxobenzimidazol-4-yl)acetamide?
The canonical SMILES for N-(2-oxobenzimidazol-4-yl)acetamide is CC(=O)Nc1cccc2c1=NC(=O)N=2.
What is the InChIKey of N-(2-oxobenzimidazol-4-yl)acetamide?
The InChIKey is MJDOEDYOVUIOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-5(13)10-6-3-2-4-7-8(6)12-9(14)11-7/h2-4H,1H3,(H,10,13).
What are the key properties of N-(2-oxobenzimidazol-4-yl)acetamide?
N-(2-oxobenzimidazol-4-yl)acetamide has a molecular weight of 189.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobenzimidazol-4-yl)acetamide is sourced from PubChem (CID 141038440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).