1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole

C12H7BrFN3 — CID 141330039

IUPAC1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole
SMILESFc1ccc2ncn(-c3cncc(Br)c3)c2c1
InChIInChI=1S/C12H7BrFN3/c13-8-3-10(6-15-5-8)17-7-16-11-2-1-9(14)4-12(11)17/h1-7H
InChIKeyAHCGFXCYVLNZQN-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.32
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole

1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole (PubChem CID 141330039) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole
PubChem CID141330039
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole
SMILESFc1ccc2ncn(-c3cncc(Br)c3)c2c1
InChIInChI=1S/C12H7BrFN3/c13-8-3-10(6-15-5-8)17-7-16-11-2-1-9(14)4-12(11)17/h1-7H
InChIKeyAHCGFXCYVLNZQN-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole (CID 141330039) is 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole is Fc1ccc2ncn(-c3cncc(Br)c3)c2c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole?
The InChIKey is AHCGFXCYVLNZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-8-3-10(6-15-5-8)17-7-16-11-2-1-9(14)4-12(11)17/h1-7H.
What are the key properties of 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole?
1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole has a molecular weight of 292.11 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole is sourced from PubChem (CID 141330039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).