6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid

C14H12N4O2 — CID 66455454

IUPAC6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid
SMILESCc1cc2ncn(-c3cncc(C(=O)O)n3)c2cc1C
InChIInChI=1S/C14H12N4O2/c1-8-3-10-12(4-9(8)2)18(7-16-10)13-6-15-5-11(17-13)14(19)20/h3-7H,1-2H3,(H,19,20)
InChIKeyMVXDSUGEVDQVGC-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.13
Rot. Bonds2

About 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid

6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid (PubChem CID 66455454) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid
PubChem CID66455454
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid
SMILESCc1cc2ncn(-c3cncc(C(=O)O)n3)c2cc1C
InChIInChI=1S/C14H12N4O2/c1-8-3-10-12(4-9(8)2)18(7-16-10)13-6-15-5-11(17-13)14(19)20/h3-7H,1-2H3,(H,19,20)
InChIKeyMVXDSUGEVDQVGC-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid (CID 66455454) is 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid is Cc1cc2ncn(-c3cncc(C(=O)O)n3)c2cc1C.
What is the InChIKey of 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is MVXDSUGEVDQVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-3-10-12(4-9(8)2)18(7-16-10)13-6-15-5-11(17-13)14(19)20/h3-7H,1-2H3,(H,19,20).
What are the key properties of 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid?
6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66455454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).