3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate

C15H14N4O3 — CID 2685861

IUPAC3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate
SMILESO=C(OCCCn1c(=O)[nH]c2ccccc21)c1cnccn1
InChIInChI=1S/C15H14N4O3/c20-14(12-10-16-6-7-17-12)22-9-3-8-19-13-5-2-1-4-11(13)18-15(19)21/h1-2,4-7,10H,3,8-9H2,(H,18,21)
InChIKeyHPLBIQWYKOXPBY-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.37
Rot. Bonds5

About 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate

3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate (PubChem CID 2685861) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate
PubChem CID2685861
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate
SMILESO=C(OCCCn1c(=O)[nH]c2ccccc21)c1cnccn1
InChIInChI=1S/C15H14N4O3/c20-14(12-10-16-6-7-17-12)22-9-3-8-19-13-5-2-1-4-11(13)18-15(19)21/h1-2,4-7,10H,3,8-9H2,(H,18,21)
InChIKeyHPLBIQWYKOXPBY-UHFFFAOYSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate?
The IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate (CID 2685861) is 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate.
What is the SMILES notation for 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate?
The canonical SMILES for 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate is O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cnccn1.
What is the InChIKey of 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate?
The InChIKey is HPLBIQWYKOXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-14(12-10-16-6-7-17-12)22-9-3-8-19-13-5-2-1-4-11(13)18-15(19)21/h1-2,4-7,10H,3,8-9H2,(H,18,21).
What are the key properties of 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate?
3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-benzimidazol-1-yl)propyl pyrazine-2-carboxylate is sourced from PubChem (CID 2685861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).