1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole

C14H7BrCl2F2N2 — CID 107614166

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
SMILESFc1cc(Cl)c(-n2c(CCl)nc3c(F)cccc32)c(Br)c1
InChIInChI=1S/C14H7BrCl2F2N2/c15-8-4-7(18)5-9(17)14(8)21-11-3-1-2-10(19)13(11)20-12(21)6-16/h1-5H,6H2
InChIKeyUWSUBLQFWRNXIX-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.46
Rot. Bonds2

About 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole

1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole (PubChem CID 107614166) has the molecular formula C14H7BrCl2F2N2 and a molecular weight of 392.03 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
PubChem CID107614166
Molecular FormulaC14H7BrCl2F2N2
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
SMILESFc1cc(Cl)c(-n2c(CCl)nc3c(F)cccc32)c(Br)c1
InChIInChI=1S/C14H7BrCl2F2N2/c15-8-4-7(18)5-9(17)14(8)21-11-3-1-2-10(19)13(11)20-12(21)6-16/h1-5H,6H2
InChIKeyUWSUBLQFWRNXIX-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'}

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Related Compounds

4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 65499437
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)-4-fluorobenzimidazole
CID 66251217
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
CID 107637832
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-4-fluorobenzimidazole
CID 60789995
1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)benzimidazole-4-carbonitrile
CID 107601645

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole (CID 107614166) is 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole is Fc1cc(Cl)c(-n2c(CCl)nc3c(F)cccc32)c(Br)c1.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The InChIKey is UWSUBLQFWRNXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2/c15-8-4-7(18)5-9(17)14(8)21-11-3-1-2-10(19)13(11)20-12(21)6-16/h1-5H,6H2.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole 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-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole is sourced from PubChem (CID 107614166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).