6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole

C15H10Br2ClFN2 — CID 107593137

IUPAC6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
SMILESCc1cc(F)c(Br)cc1-n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H10Br2ClFN2/c1-8-4-11(19)10(17)6-13(8)21-14-5-9(16)2-3-12(14)20-15(21)7-18/h2-6H,7H2,1H3
InChIKeyFOBFJMVENJNBSB-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.74
Rot. Bonds2

About 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole

6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole (PubChem CID 107593137) has the molecular formula C15H10Br2ClFN2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
PubChem CID107593137
Molecular FormulaC15H10Br2ClFN2
Molecular Weight432.52 g/mol
Exact Mass429.89
IUPAC Name6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
SMILESCc1cc(F)c(Br)cc1-n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H10Br2ClFN2/c1-8-4-11(19)10(17)6-13(8)21-14-5-9(16)2-3-12(14)20-15(21)7-18/h2-6H,7H2,1H3
InChIKeyFOBFJMVENJNBSB-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107593132
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497
6-bromo-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole (CID 107593137) is 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole is Cc1cc(F)c(Br)cc1-n1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is FOBFJMVENJNBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFN2/c1-8-4-11(19)10(17)6-13(8)21-14-5-9(16)2-3-12(14)20-15(21)7-18/h2-6H,7H2,1H3.
What are the key properties of 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole?
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 432.52 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 107593137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).