2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid

C15H10N4O3 — CID 70143818

IUPAC2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-n3c(=O)[nH]c4ccccc43)[nH]c2c1
InChIInChI=1S/C15H10N4O3/c20-13(21)8-5-6-9-11(7-8)17-14(16-9)19-12-4-2-1-3-10(12)18-15(19)22/h1-7H,(H,16,17)(H,18,22)(H,20,21)
InChIKeyBKIGUFPTGOXHIG-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid

2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 70143818) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
PubChem CID70143818
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-n3c(=O)[nH]c4ccccc43)[nH]c2c1
InChIInChI=1S/C15H10N4O3/c20-13(21)8-5-6-9-11(7-8)17-14(16-9)19-12-4-2-1-3-10(12)18-15(19)22/h1-7H,(H,16,17)(H,18,22)(H,20,21)
InChIKeyBKIGUFPTGOXHIG-UHFFFAOYSA-N
XLogP1.89
TPSA103.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid (CID 70143818) is 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-n3c(=O)[nH]c4ccccc43)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is BKIGUFPTGOXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-13(21)8-5-6-9-11(7-8)17-14(16-9)19-12-4-2-1-3-10(12)18-15(19)22/h1-7H,(H,16,17)(H,18,22)(H,20,21).
What are the key properties of 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid?
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 70143818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).