5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole

C14H7BrCl3FN2 — CID 66087106

IUPAC5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H7BrCl3FN2/c15-8-4-11-13(5-10(8)19)21(14(6-16)20-11)12-3-7(17)1-2-9(12)18/h1-5H,6H2
InChIKeyXQWIRVYCZIFQCJ-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.97
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole

5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole (PubChem CID 66087106) has the molecular formula C14H7BrCl3FN2 and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
PubChem CID66087106
Molecular FormulaC14H7BrCl3FN2
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H7BrCl3FN2/c15-8-4-11-13(5-10(8)19)21(14(6-16)20-11)12-3-7(17)1-2-9(12)18/h1-5H,6H2
InChIKeyXQWIRVYCZIFQCJ-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.97
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

5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509666

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole (CID 66087106) is 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole is Fc1cc2c(cc1Br)nc(CCl)n2-c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole?
The InChIKey is XQWIRVYCZIFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl3FN2/c15-8-4-11-13(5-10(8)19)21(14(6-16)20-11)12-3-7(17)1-2-9(12)18/h1-5H,6H2.
What are the key properties of 5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole?
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole has a molecular weight of 408.49 g/mol, XLogP of 5.97, 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-(2,5-dichlorophenyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66087106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).