2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid

C11H12N2O3 — CID 45157012

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
SMILESCn1c(=O)n(C)c2cc(CC(=O)O)ccc21
InChIInChI=1S/C11H12N2O3/c1-12-8-4-3-7(6-10(14)15)5-9(8)13(2)11(12)16/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyWYUQWLMROWXNGC-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.50
Rot. Bonds2

About 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid (PubChem CID 45157012) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
PubChem CID45157012
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
SMILESCn1c(=O)n(C)c2cc(CC(=O)O)ccc21
InChIInChI=1S/C11H12N2O3/c1-12-8-4-3-7(6-10(14)15)5-9(8)13(2)11(12)16/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyWYUQWLMROWXNGC-UHFFFAOYSA-N
XLogP0.50
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid (CID 45157012) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid is Cn1c(=O)n(C)c2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid?
The InChIKey is WYUQWLMROWXNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-12-8-4-3-7(6-10(14)15)5-9(8)13(2)11(12)16/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 45157012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).