2-bromo-6-chloro-4-fluoro-1H-benzimidazole

C7H3BrClFN2 — CID 130895995

IUPAC2-bromo-6-chloro-4-fluoro-1H-benzimidazole
SMILESFc1cc(Cl)cc2[nH]c(Br)nc12
InChIInChI=1S/C7H3BrClFN2/c8-7-11-5-2-3(9)1-4(10)6(5)12-7/h1-2H,(H,11,12)
InChIKeyJOXBCFHGTWKOBB-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.12
Rot. Bonds

About 2-bromo-6-chloro-4-fluoro-1H-benzimidazole

2-bromo-6-chloro-4-fluoro-1H-benzimidazole (PubChem CID 130895995) has the molecular formula C7H3BrClFN2 and a molecular weight of 249.47 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-1H-benzimidazole
PubChem CID130895995
Molecular FormulaC7H3BrClFN2
Molecular Weight249.47 g/mol
Exact Mass247.92
IUPAC Name2-bromo-6-chloro-4-fluoro-1H-benzimidazole
SMILESFc1cc(Cl)cc2[nH]c(Br)nc12
InChIInChI=1S/C7H3BrClFN2/c8-7-11-5-2-3(9)1-4(10)6(5)12-7/h1-2H,(H,11,12)
InChIKeyJOXBCFHGTWKOBB-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-1H-benzimidazole (CID 130895995) is 2-bromo-6-chloro-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-1H-benzimidazole is Fc1cc(Cl)cc2[nH]c(Br)nc12.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-1H-benzimidazole?
The InChIKey is JOXBCFHGTWKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFN2/c8-7-11-5-2-3(9)1-4(10)6(5)12-7/h1-2H,(H,11,12).
What are the key properties of 2-bromo-6-chloro-4-fluoro-1H-benzimidazole?
2-bromo-6-chloro-4-fluoro-1H-benzimidazole has a molecular weight of 249.47 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 130895995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).