6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole

C14H7Br3ClFN2 — CID 107601497

IUPAC6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
SMILESFc1cc2nc(CCl)n(-c3c(Br)cccc3Br)c2cc1Br
InChIInChI=1S/C14H7Br3ClFN2/c15-7-2-1-3-8(16)14(7)21-12-4-9(17)10(19)5-11(12)20-13(21)6-18/h1-5H,6H2
InChIKeySKKTUZKIZYRGNX-UHFFFAOYSA-N
MW497.39 g/mol
LogP6.19
Rot. Bonds2

About 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole

6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole (PubChem CID 107601497) has the molecular formula C14H7Br3ClFN2 and a molecular weight of 497.39 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
PubChem CID107601497
Molecular FormulaC14H7Br3ClFN2
Molecular Weight497.39 g/mol
Exact Mass493.78
IUPAC Name6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
SMILESFc1cc2nc(CCl)n(-c3c(Br)cccc3Br)c2cc1Br
InChIInChI=1S/C14H7Br3ClFN2/c15-7-2-1-3-8(16)14(7)21-12-4-9(17)10(19)5-11(12)20-13(21)6-18/h1-5H,6H2
InChIKeySKKTUZKIZYRGNX-UHFFFAOYSA-N
XLogP6.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 56.19
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

5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
6-bromo-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 116738695
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole (CID 107601497) is 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole is Fc1cc2nc(CCl)n(-c3c(Br)cccc3Br)c2cc1Br.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole?
The InChIKey is SKKTUZKIZYRGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br3ClFN2/c15-7-2-1-3-8(16)14(7)21-12-4-9(17)10(19)5-11(12)20-13(21)6-18/h1-5H,6H2.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole?
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole has a molecular weight of 497.39 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole is sourced from PubChem (CID 107601497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).