2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid

C15H13BrN4O3 — CID 174210139

IUPAC2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid
SMILESCc1nc(Br)cnc1-n1c(=O)n(CC(=O)O)c2cccc(C)c21
InChIInChI=1S/C15H13BrN4O3/c1-8-4-3-5-10-13(8)20(15(23)19(10)7-12(21)22)14-9(2)18-11(16)6-17-14/h3-6H,7H2,1-2H3,(H,21,22)
InChIKeyFHEZQGXWFARLQM-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.05
Rot. Bonds3

About 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid

2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid (PubChem CID 174210139) has the molecular formula C15H13BrN4O3 and a molecular weight of 377.20 g/mol. Its IUPAC name is 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid
PubChem CID174210139
Molecular FormulaC15H13BrN4O3
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid
SMILESCc1nc(Br)cnc1-n1c(=O)n(CC(=O)O)c2cccc(C)c21
InChIInChI=1S/C15H13BrN4O3/c1-8-4-3-5-10-13(8)20(15(23)19(10)7-12(21)22)14-9(2)18-11(16)6-17-14/h3-6H,7H2,1-2H3,(H,21,22)
InChIKeyFHEZQGXWFARLQM-UHFFFAOYSA-N
XLogP2.05
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid (CID 174210139) is 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid is Cc1nc(Br)cnc1-n1c(=O)n(CC(=O)O)c2cccc(C)c21.
What is the InChIKey of 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid?
The InChIKey is FHEZQGXWFARLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O3/c1-8-4-3-5-10-13(8)20(15(23)19(10)7-12(21)22)14-9(2)18-11(16)6-17-14/h3-6H,7H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid?
2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid has a molecular weight of 377.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-3-methylpyrazin-2-yl)-4-methyl-2-oxobenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 174210139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).