1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole

C14H7BrCl2F2N2 — CID 107614154

IUPAC1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(-n2c(CCl)nc3cc(Cl)ccc32)c(F)cc1Br
InChIInChI=1S/C14H7BrCl2F2N2/c15-8-4-10(19)13(5-9(8)18)21-12-2-1-7(17)3-11(12)20-14(21)6-16/h1-5H,6H2
InChIKeyZIAFOFIUQKTZBT-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.46
Rot. Bonds2

About 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole

1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole (PubChem CID 107614154) has the molecular formula C14H7BrCl2F2N2 and a molecular weight of 392.03 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
PubChem CID107614154
Molecular FormulaC14H7BrCl2F2N2
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(-n2c(CCl)nc3cc(Cl)ccc32)c(F)cc1Br
InChIInChI=1S/C14H7BrCl2F2N2/c15-8-4-10(19)13(5-9(8)18)21-12-2-1-7(17)3-11(12)20-14(21)6-16/h1-5H,6H2
InChIKeyZIAFOFIUQKTZBT-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.03
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
CID 81274666
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107614160
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole (CID 107614154) is 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole is Fc1cc(-n2c(CCl)nc3cc(Cl)ccc32)c(F)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is ZIAFOFIUQKTZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2/c15-8-4-10(19)13(5-9(8)18)21-12-2-1-7(17)3-11(12)20-14(21)6-16/h1-5H,6H2.
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole?
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole has a molecular weight of 392.03 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 107614154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).