6-bromo-2-pyridin-2-yl-1H-benzimidazole

C12H8BrN3 — CID 64723939

IUPAC6-bromo-2-pyridin-2-yl-1H-benzimidazole
SMILESBrc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C12H8BrN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)
InChIKeyUPORMWWQCXNWOP-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.39
Rot. Bonds1

About 6-bromo-2-pyridin-2-yl-1H-benzimidazole

6-bromo-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 64723939) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 6-bromo-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-pyridin-2-yl-1H-benzimidazole
PubChem CID64723939
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name6-bromo-2-pyridin-2-yl-1H-benzimidazole
SMILESBrc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C12H8BrN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)
InChIKeyUPORMWWQCXNWOP-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-pyridin-2-yl-1H-benzimidazole (CID 64723939) is 6-bromo-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-pyridin-2-yl-1H-benzimidazole is Brc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is UPORMWWQCXNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16).
What are the key properties of 6-bromo-2-pyridin-2-yl-1H-benzimidazole?
6-bromo-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 274.12 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 64723939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).