2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid

C12H8N4O2 — CID 63032968

IUPAC2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cnccn3)nc12
InChIInChI=1S/C12H8N4O2/c17-12(18)7-2-1-3-8-10(7)16-11(15-8)9-6-13-4-5-14-9/h1-6H,(H,15,16)(H,17,18)
InChIKeyCRMZVMYIOSPPBK-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.72
Rot. Bonds2

About 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid

2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid (PubChem CID 63032968) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
PubChem CID63032968
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cnccn3)nc12
InChIInChI=1S/C12H8N4O2/c17-12(18)7-2-1-3-8-10(7)16-11(15-8)9-6-13-4-5-14-9/h1-6H,(H,15,16)(H,17,18)
InChIKeyCRMZVMYIOSPPBK-UHFFFAOYSA-N
XLogP1.72
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid (CID 63032968) is 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3cnccn3)nc12.
What is the InChIKey of 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is CRMZVMYIOSPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(18)7-2-1-3-8-10(7)16-11(15-8)9-6-13-4-5-14-9/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid?
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63032968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).