5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole

C14H9BrClFN2 — CID 79631508

IUPAC5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Cl
InChIInChI=1S/C14H9BrClFN2/c1-7-2-3-8(4-10(7)16)14-18-12-5-9(15)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKeyZAQQMGDGFYIORZ-UHFFFAOYSA-N
MW339.60 g/mol
LogP5.09
Rot. Bonds1

About 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 79631508) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
PubChem CID79631508
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Cl
InChIInChI=1S/C14H9BrClFN2/c1-7-2-3-8(4-10(7)16)14-18-12-5-9(15)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKeyZAQQMGDGFYIORZ-UHFFFAOYSA-N
XLogP5.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole (CID 79631508) is 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole is Cc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Cl.
What is the InChIKey of 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is ZAQQMGDGFYIORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c1-7-2-3-8(4-10(7)16)14-18-12-5-9(15)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 339.60 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79631508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).