1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole

C15H10BrCl2FN2 — CID 43667219

IUPAC1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3cc(Cl)ccc32)c(Br)c1
InChIInChI=1S/C15H10BrCl2FN2/c16-11-8-10(19)2-4-13(11)21-14-3-1-9(18)7-12(14)20-15(21)5-6-17/h1-4,7-8H,5-6H2
InChIKeyFJDSLHBKNQDYGZ-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.36
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole

1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole (PubChem CID 43667219) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
PubChem CID43667219
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3cc(Cl)ccc32)c(Br)c1
InChIInChI=1S/C15H10BrCl2FN2/c16-11-8-10(19)2-4-13(11)21-14-3-1-9(18)7-12(14)20-15(21)5-6-17/h1-4,7-8H,5-6H2
InChIKeyFJDSLHBKNQDYGZ-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.36
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-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 43667223
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
CID 66079847
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552908

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole (CID 43667219) is 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole is Fc1ccc(-n2c(CCCl)nc3cc(Cl)ccc32)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
The InChIKey is FJDSLHBKNQDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c16-11-8-10(19)2-4-13(11)21-14-3-1-9(18)7-12(14)20-15(21)5-6-17/h1-4,7-8H,5-6H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole has a molecular weight of 388.07 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 43667219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).