2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid

C9H8N2O3 — CID 19002737

IUPAC2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c12-8(13)4-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKeyOAFRCZCYWOFYGI-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.48
Rot. Bonds2

About 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid (PubChem CID 19002737) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
PubChem CID19002737
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c12-8(13)4-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14)
InChIKeyOAFRCZCYWOFYGI-UHFFFAOYSA-N
XLogP0.48
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid (CID 19002737) is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid is O=C(O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
The InChIKey is OAFRCZCYWOFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8(13)4-5-1-2-6-7(3-5)11-9(14)10-6/h1-3H,4H2,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid?
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 19002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).