7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid

C9H8N2O3 — CID 154197959

IUPAC7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
SMILESCc1cccc2[nH]c(=O)n(C(=O)O)c12
InChIInChI=1S/C9H8N2O3/c1-5-3-2-4-6-7(5)11(9(13)14)8(12)10-6/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKeyUNEMYBDLYJXLOR-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.16
Rot. Bonds

About 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid

7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid (PubChem CID 154197959) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
PubChem CID154197959
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
SMILESCc1cccc2[nH]c(=O)n(C(=O)O)c12
InChIInChI=1S/C9H8N2O3/c1-5-3-2-4-6-7(5)11(9(13)14)8(12)10-6/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKeyUNEMYBDLYJXLOR-UHFFFAOYSA-N
XLogP1.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid?
The IUPAC name of 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid (CID 154197959) is 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid.
What is the SMILES notation for 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid?
The canonical SMILES for 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid is Cc1cccc2[nH]c(=O)n(C(=O)O)c12.
What is the InChIKey of 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid?
The InChIKey is UNEMYBDLYJXLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-3-2-4-6-7(5)11(9(13)14)8(12)10-6/h2-4H,1H3,(H,10,12)(H,13,14).
What are the key properties of 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid?
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid is sourced from PubChem (CID 154197959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).