2-bromo-6-phenyl-1H-benzimidazole

C13H9BrN2 — CID 97036463

IUPAC2-bromo-6-phenyl-1H-benzimidazole
SMILESBrc1nc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C13H9BrN2/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyLQXLOMLTUDALGZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.99
Rot. Bonds1

About 2-bromo-6-phenyl-1H-benzimidazole

2-bromo-6-phenyl-1H-benzimidazole (PubChem CID 97036463) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-6-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-6-phenyl-1H-benzimidazole
PubChem CID97036463
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-bromo-6-phenyl-1H-benzimidazole
SMILESBrc1nc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C13H9BrN2/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyLQXLOMLTUDALGZ-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenyl-1H-benzimidazole?
The IUPAC name of 2-bromo-6-phenyl-1H-benzimidazole (CID 97036463) is 2-bromo-6-phenyl-1H-benzimidazole.
What is the SMILES notation for 2-bromo-6-phenyl-1H-benzimidazole?
The canonical SMILES for 2-bromo-6-phenyl-1H-benzimidazole is Brc1nc2ccc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 2-bromo-6-phenyl-1H-benzimidazole?
The InChIKey is LQXLOMLTUDALGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 2-bromo-6-phenyl-1H-benzimidazole?
2-bromo-6-phenyl-1H-benzimidazole has a molecular weight of 273.13 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenyl-1H-benzimidazole is sourced from PubChem (CID 97036463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).