3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid

C11H10N2O3 — CID 82784248

IUPAC3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(C3CC3)c2c1
InChIInChI=1S/C11H10N2O3/c14-10(15)6-1-4-8-9(5-6)13(7-2-3-7)11(16)12-8/h1,4-5,7H,2-3H2,(H,12,16)(H,14,15)
InChIKeyJOALTBZZXLKPMS-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.36
Rot. Bonds2

About 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid

3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 82784248) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID82784248
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(C3CC3)c2c1
InChIInChI=1S/C11H10N2O3/c14-10(15)6-1-4-8-9(5-6)13(7-2-3-7)11(16)12-8/h1,4-5,7H,2-3H2,(H,12,16)(H,14,15)
InChIKeyJOALTBZZXLKPMS-UHFFFAOYSA-N
XLogP1.36
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 82784248) is 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)n(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is JOALTBZZXLKPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10(15)6-1-4-8-9(5-6)13(7-2-3-7)11(16)12-8/h1,4-5,7H,2-3H2,(H,12,16)(H,14,15).
What are the key properties of 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82784248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).