5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole

C11H6BrClN4 — CID 102430445

IUPAC5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole
SMILESClc1cncc(-n2cnc3cc(Br)ccc32)n1
InChIInChI=1S/C11H6BrClN4/c12-7-1-2-9-8(3-7)15-6-17(9)11-5-14-4-10(13)16-11/h1-6H
InChIKeyVDWZABJZTWEROQ-UHFFFAOYSA-N
MW309.55 g/mol
LogP3.23
Rot. Bonds1

About 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole

5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole (PubChem CID 102430445) has the molecular formula C11H6BrClN4 and a molecular weight of 309.55 g/mol. Its IUPAC name is 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole
PubChem CID102430445
Molecular FormulaC11H6BrClN4
Molecular Weight309.55 g/mol
Exact Mass307.95
IUPAC Name5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole
SMILESClc1cncc(-n2cnc3cc(Br)ccc32)n1
InChIInChI=1S/C11H6BrClN4/c12-7-1-2-9-8(3-7)15-6-17(9)11-5-14-4-10(13)16-11/h1-6H
InChIKeyVDWZABJZTWEROQ-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole?
The IUPAC name of 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole (CID 102430445) is 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole is Clc1cncc(-n2cnc3cc(Br)ccc32)n1.
What is the InChIKey of 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole?
The InChIKey is VDWZABJZTWEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4/c12-7-1-2-9-8(3-7)15-6-17(9)11-5-14-4-10(13)16-11/h1-6H.
What are the key properties of 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole?
5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole has a molecular weight of 309.55 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-chloropyrazin-2-yl)benzimidazole is sourced from PubChem (CID 102430445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).