2-pyridin-2-yl-3H-benzimidazole-5-carboxylate

C13H8N3O2- — CID 7044978

IUPAC2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
SMILESO=C([O-])c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)(H,17,18)/p-1
InChIKeyHCHZJVIOJPDFKA-UHFFFAOYSA-M
MW238.23 g/mol
LogP0.99
Rot. Bonds2

About 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate

2-pyridin-2-yl-3H-benzimidazole-5-carboxylate (PubChem CID 7044978) has the molecular formula C13H8N3O2- and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
PubChem CID7044978
Molecular FormulaC13H8N3O2-
Molecular Weight238.23 g/mol
Exact Mass238.06
IUPAC Name2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
SMILESO=C([O-])c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)(H,17,18)/p-1
InChIKeyHCHZJVIOJPDFKA-UHFFFAOYSA-M
XLogP0.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
CID 123441695
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
CID 86766119
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
3-pyridin-2-ylbenzoate
CID 7020368
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate?
The IUPAC name of 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate (CID 7044978) is 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate?
The canonical SMILES for 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate is O=C([O-])c1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate?
The InChIKey is HCHZJVIOJPDFKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate?
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate has a molecular weight of 238.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 7044978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).