2-(2-oxo-3H-benzimidazol-1-yl)acetic acid

C9H8N2O3 — CID 10845408

IUPAC2-(2-oxo-3H-benzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C9H8N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)10-9(11)14/h1-4H,5H2,(H,10,14)(H,12,13)
InChIKeyXGCKXFIEBXHNRH-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.41
Rot. Bonds2

About 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid

2-(2-oxo-3H-benzimidazol-1-yl)acetic acid (PubChem CID 10845408) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3H-benzimidazol-1-yl)acetic acid
PubChem CID10845408
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(2-oxo-3H-benzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C9H8N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)10-9(11)14/h1-4H,5H2,(H,10,14)(H,12,13)
InChIKeyXGCKXFIEBXHNRH-UHFFFAOYSA-N
XLogP0.41
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid (CID 10845408) is 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid is O=C(O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid?
The InChIKey is XGCKXFIEBXHNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)10-9(11)14/h1-4H,5H2,(H,10,14)(H,12,13).
What are the key properties of 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid?
2-(2-oxo-3H-benzimidazol-1-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 10845408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).