5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole

C12H6Br2FN3 — CID 107519609

IUPAC5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ncccc3Br)nc2cc1Br
InChIInChI=1S/C12H6Br2FN3/c13-6-2-1-3-16-11(6)12-17-9-4-7(14)8(15)5-10(9)18-12/h1-5H,(H,17,18)
InChIKeyJMOHPSDZBIOYSI-UHFFFAOYSA-N
MW371.01 g/mol
LogP4.29
Rot. Bonds1

About 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole (PubChem CID 107519609) has the molecular formula C12H6Br2FN3 and a molecular weight of 371.01 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
PubChem CID107519609
Molecular FormulaC12H6Br2FN3
Molecular Weight371.01 g/mol
Exact Mass368.89
IUPAC Name5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ncccc3Br)nc2cc1Br
InChIInChI=1S/C12H6Br2FN3/c13-6-2-1-3-16-11(6)12-17-9-4-7(14)8(15)5-10(9)18-12/h1-5H,(H,17,18)
InChIKeyJMOHPSDZBIOYSI-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.01
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole (CID 107519609) is 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3ncccc3Br)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The InChIKey is JMOHPSDZBIOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2FN3/c13-6-2-1-3-16-11(6)12-17-9-4-7(14)8(15)5-10(9)18-12/h1-5H,(H,17,18).
What are the key properties of 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole has a molecular weight of 371.01 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 107519609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).