3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

C15H16N2O3 — CID 115931688

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)n(C3CC4CCC3C4)c12
InChIInChI=1S/C15H16N2O3/c18-14(19)10-2-1-3-11-13(10)17(15(20)16-11)12-7-8-4-5-9(12)6-8/h1-3,8-9,12H,4-7H2,(H,16,20)(H,18,19)
InChIKeyYDZLQAVXPCAHCS-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (PubChem CID 115931688) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
PubChem CID115931688
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)n(C3CC4CCC3C4)c12
InChIInChI=1S/C15H16N2O3/c18-14(19)10-2-1-3-11-13(10)17(15(20)16-11)12-7-8-4-5-9(12)6-8/h1-3,8-9,12H,4-7H2,(H,16,20)(H,18,19)
InChIKeyYDZLQAVXPCAHCS-UHFFFAOYSA-N
XLogP2.39
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (CID 115931688) is 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(=O)n(C3CC4CCC3C4)c12.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The InChIKey is YDZLQAVXPCAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(19)10-2-1-3-11-13(10)17(15(20)16-11)12-7-8-4-5-9(12)6-8/h1-3,8-9,12H,4-7H2,(H,16,20)(H,18,19).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115931688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).