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

C14H7BrCl2F2N2 — CID 102854323

IUPAC1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(F)c(-n2c(CCl)nc3c(Cl)cccc32)cc1Br
InChIInChI=1S/C14H7BrCl2F2N2/c15-7-4-12(10(19)5-9(7)18)21-11-3-1-2-8(17)14(11)20-13(21)6-16/h1-5H,6H2
InChIKeyRKEZEYJIIRKBIG-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.46
Rot. Bonds2

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

1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole (PubChem CID 102854323) has the molecular formula C14H7BrCl2F2N2 and a molecular weight of 392.03 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
PubChem CID102854323
Molecular FormulaC14H7BrCl2F2N2
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(F)c(-n2c(CCl)nc3c(Cl)cccc32)cc1Br
InChIInChI=1S/C14H7BrCl2F2N2/c15-7-4-12(10(19)5-9(7)18)21-11-3-1-2-8(17)14(11)20-13(21)6-16/h1-5H,6H2
InChIKeyRKEZEYJIIRKBIG-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

4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838473
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole (CID 102854323) is 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole is Fc1cc(F)c(-n2c(CCl)nc3c(Cl)cccc32)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is RKEZEYJIIRKBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2/c15-7-4-12(10(19)5-9(7)18)21-11-3-1-2-8(17)14(11)20-13(21)6-16/h1-5H,6H2.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
1-(5-bromo-2,4-difluorophenyl)-4-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-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 102854323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).