5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole

C14H7Br2ClF2N2 — CID 107601623

IUPAC5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2-c1c(F)cccc1Br
InChIInChI=1S/C14H7Br2ClF2N2/c15-7-2-1-3-9(18)14(7)21-12-5-10(19)8(16)4-11(12)20-13(21)6-17/h1-5H,6H2
InChIKeyHLVYBMSUNKTJQX-UHFFFAOYSA-N
MW436.48 g/mol
LogP5.57
Rot. Bonds2

About 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole

5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole (PubChem CID 107601623) has the molecular formula C14H7Br2ClF2N2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
PubChem CID107601623
Molecular FormulaC14H7Br2ClF2N2
Molecular Weight436.48 g/mol
Exact Mass433.86
IUPAC Name5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCl)n2-c1c(F)cccc1Br
InChIInChI=1S/C14H7Br2ClF2N2/c15-7-2-1-3-9(18)14(7)21-12-5-10(19)8(16)4-11(12)20-13(21)6-17/h1-5H,6H2
InChIKeyHLVYBMSUNKTJQX-UHFFFAOYSA-N
XLogP5.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.57
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

1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
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
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole (CID 107601623) is 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole is Fc1cc2c(cc1Br)nc(CCl)n2-c1c(F)cccc1Br.
What is the InChIKey of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole?
The InChIKey is HLVYBMSUNKTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClF2N2/c15-7-2-1-3-9(18)14(7)21-12-5-10(19)8(16)4-11(12)20-13(21)6-17/h1-5H,6H2.
What are the key properties of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole?
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole has a molecular weight of 436.48 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 107601623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).