1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole

C14H7BrCl3FN2 — CID 107614180

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(Cl)c(-n2c(CCl)nc3cccc(Cl)c32)c(Br)c1
InChIInChI=1S/C14H7BrCl3FN2/c15-8-4-7(19)5-10(18)13(8)21-12(6-16)20-11-3-1-2-9(17)14(11)21/h1-5H,6H2
InChIKeyLNGFFDMADDGZMH-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.97
Rot. Bonds2

About 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole

1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole (PubChem CID 107614180) has the molecular formula C14H7BrCl3FN2 and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
PubChem CID107614180
Molecular FormulaC14H7BrCl3FN2
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(Cl)c(-n2c(CCl)nc3cccc(Cl)c32)c(Br)c1
InChIInChI=1S/C14H7BrCl3FN2/c15-8-4-7(19)5-10(18)13(8)21-12(6-16)20-11-3-1-2-9(17)14(11)21/h1-5H,6H2
InChIKeyLNGFFDMADDGZMH-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

7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole (CID 107614180) is 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole is Fc1cc(Cl)c(-n2c(CCl)nc3cccc(Cl)c32)c(Br)c1.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is LNGFFDMADDGZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl3FN2/c15-8-4-7(19)5-10(18)13(8)21-12(6-16)20-11-3-1-2-9(17)14(11)21/h1-5H,6H2.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole 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 1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 107614180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).