5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole

C15H11BrClFN2 — CID 79050150

IUPAC5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole
SMILESCc1cc(F)cc(-n2c(CCl)nc3cc(Br)ccc32)c1
InChIInChI=1S/C15H11BrClFN2/c1-9-4-11(18)7-12(5-9)20-14-3-2-10(16)6-13(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyCBRICXUDZSIHLY-UHFFFAOYSA-N
MW353.62 g/mol
LogP4.97
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole

5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole (PubChem CID 79050150) has the molecular formula C15H11BrClFN2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole
PubChem CID79050150
Molecular FormulaC15H11BrClFN2
Molecular Weight353.62 g/mol
Exact Mass351.98
IUPAC Name5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole
SMILESCc1cc(F)cc(-n2c(CCl)nc3cc(Br)ccc32)c1
InChIInChI=1S/C15H11BrClFN2/c1-9-4-11(18)7-12(5-9)20-14-3-2-10(16)6-13(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyCBRICXUDZSIHLY-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 54.97
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-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 107368467
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
CID 63547219
5-bromo-2-(chloromethyl)-1-(1-methylpyrazol-4-yl)benzimidazole
CID 79779426
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831
2-(chloromethyl)-1-(3,5-dimethylphenyl)-4,6-difluorobenzimidazole
CID 115509139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole (CID 79050150) is 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole is Cc1cc(F)cc(-n2c(CCl)nc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole?
The InChIKey is CBRICXUDZSIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2/c1-9-4-11(18)7-12(5-9)20-14-3-2-10(16)6-13(14)19-15(20)8-17/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole?
5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole has a molecular weight of 353.62 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole is sourced from PubChem (CID 79050150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).