6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole

C18H12BrN3 — CID 118723078

IUPAC6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3cc(-c4ccccc4)ccn3)[nH]c2c1
InChIInChI=1S/C18H12BrN3/c19-14-6-7-15-16(11-14)22-18(21-15)17-10-13(8-9-20-17)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKeyYUFRWVUMEKBUPN-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.05
Rot. Bonds2

About 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole

6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole (PubChem CID 118723078) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
PubChem CID118723078
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC Name6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
SMILESBrc1ccc2nc(-c3cc(-c4ccccc4)ccn3)[nH]c2c1
InChIInChI=1S/C18H12BrN3/c19-14-6-7-15-16(11-14)22-18(21-15)17-10-13(8-9-20-17)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKeyYUFRWVUMEKBUPN-UHFFFAOYSA-N
XLogP5.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole (CID 118723078) is 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole is Brc1ccc2nc(-c3cc(-c4ccccc4)ccn3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole?
The InChIKey is YUFRWVUMEKBUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-14-6-7-15-16(11-14)22-18(21-15)17-10-13(8-9-20-17)12-4-2-1-3-5-12/h1-11H,(H,21,22).
What are the key properties of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole?
6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole has a molecular weight of 350.22 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 118723078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).