2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid

C10H10N2O3 — CID 773560

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid
SMILESCn1c(=O)n(CC(=O)O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c1-11-7-4-2-3-5-8(7)12(10(11)15)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyLAPYIDMXQINFIS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.42
Rot. Bonds2

About 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid

2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid (PubChem CID 773560) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid
PubChem CID773560
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid
SMILESCn1c(=O)n(CC(=O)O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c1-11-7-4-2-3-5-8(7)12(10(11)15)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyLAPYIDMXQINFIS-UHFFFAOYSA-N
XLogP0.42
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-2-oxobenzimidazol-1-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-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid (CID 773560) is 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid is Cn1c(=O)n(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid?
The InChIKey is LAPYIDMXQINFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-11-7-4-2-3-5-8(7)12(10(11)15)6-9(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid?
2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 773560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).