5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole

C12H6BrClFN3 — CID 79631691

IUPAC5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc(Cl)cn3)nc2cc1Br
InChIInChI=1S/C12H6BrClFN3/c13-7-3-10-11(4-8(7)15)18-12(17-10)9-2-1-6(14)5-16-9/h1-5H,(H,17,18)
InChIKeyFXVBYFVKRNVMOV-UHFFFAOYSA-N
MW326.56 g/mol
LogP4.18
Rot. Bonds1

About 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole (PubChem CID 79631691) has the molecular formula C12H6BrClFN3 and a molecular weight of 326.56 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
PubChem CID79631691
Molecular FormulaC12H6BrClFN3
Molecular Weight326.56 g/mol
Exact Mass324.94
IUPAC Name5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc(Cl)cn3)nc2cc1Br
InChIInChI=1S/C12H6BrClFN3/c13-7-3-10-11(4-8(7)15)18-12(17-10)9-2-1-6(14)5-16-9/h1-5H,(H,17,18)
InChIKeyFXVBYFVKRNVMOV-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole (CID 79631691) is 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3ccc(Cl)cn3)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The InChIKey is FXVBYFVKRNVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3/c13-7-3-10-11(4-8(7)15)18-12(17-10)9-2-1-6(14)5-16-9/h1-5H,(H,17,18).
What are the key properties of 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole has a molecular weight of 326.56 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79631691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).